REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1qvr_1_B DATA FIRST_RESID 4 DATA SEQUENCE ERWTQAAREA LAQAQVLAQR MKHQAIDLPH LWAVLLKDER SLAWRLLEKA DATA SEQUENCE GADPKALKEL QERELARLPK VEGAEVGQYL TSRLSGALNR AEGLMEELKD DATA SEQUENCE RYVAVDTLVL ALAEATPGLP GLEALKGALK ELRGGRTVQT EHAESTYNAL DATA SEQUENCE EQYGIDLTRL AAEGKLDPVI GRDEEIRRVI QILLRRTKNN PVLIGEPGVG DATA SEQUENCE KTAIVEGLAQ RIVKGDVPEG LKGKRIVSLQ MXXXXXXXXX XXEFEERLKA DATA SEQUENCE VIQEVVQSQG EVILFIDEXX XXXXXXXXXX XXXXXXXLKP ALARGELRLI DATA SEQUENCE GATTLDEYRE IEKDPALERR FQPVYVDEPT VEETISILRG LKEKYEVHHG DATA SEQUENCE VRISDSAIIA AATLSHRYIT ERRLPDKAID LIDEAAARLR MALESAPEEI DATA SEQUENCE DALERKKLQL EIEREALKKE KDPDSQERLK AIEAEIAKLT EEIAKLRAEW DATA SEQUENCE EREREILRKL REAQHRLDEV RREIELAERQ YDLNRAAELR YGELPKLEAE DATA SEQUENCE VEALSEKLRG ARFVRLEVTE EDIAEIVSRW TGIPVSKLLE GEREKLLRLE DATA SEQUENCE EELHKRVVGQ DEAIRAVADA IRRARAGLKD PNRPIGSFLF LGPTGVGKTE DATA SEQUENCE LAKTLAATLF DTEEAMIRID MTEYMEKHAV SRLXXXXXXX XXXXXXXQLT DATA SEQUENCE EAVRRRPYSV ILFDEIEKAH PDVFNILLQI LDDGRLTDSH GRTVDFRNTV DATA SEQUENCE IILTSNLGSP LILEGLQKGW PYERIRDEVF KVLQQHFRPE FLNRLDEIVV DATA SEQUENCE FRPLTKEQIR QIVEIQLSYL RARLAEKRIS LELTEAAKDF LAERGYDPVF DATA SEQUENCE GARPLRRVIQ RELETPLAQK ILAGEVKEGD RVQVDVGPAG LVFAVPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.748 176.600 0.246 0.000 1.382 4 E CA 0.000 56.552 56.400 0.253 0.000 0.976 4 E CB 0.000 29.817 29.700 0.195 0.000 0.812 5 R N -1.126 119.562 120.500 0.313 0.000 3.519 5 R HA 0.370 4.712 4.340 0.003 0.000 0.158 5 R C -1.043 175.536 176.300 0.465 0.000 0.806 5 R CA -0.222 56.093 56.100 0.358 0.000 0.586 5 R CB -0.552 29.885 30.300 0.228 0.000 1.172 5 R HN -0.034 nan 8.270 nan 0.000 0.358 6 W N 1.224 122.542 121.300 0.030 0.000 2.496 6 W HA 0.427 5.088 4.660 0.002 0.000 0.327 6 W C 0.660 177.119 176.519 -0.100 0.000 1.086 6 W CA -0.431 56.924 57.345 0.016 0.000 1.222 6 W CB 0.510 29.977 29.460 0.013 0.000 1.304 6 W HN 0.275 nan 8.180 nan 0.000 0.547 7 T N 3.535 118.146 114.554 0.095 0.000 2.939 7 T HA -0.118 4.234 4.350 0.003 0.000 0.319 7 T C 1.599 176.317 174.700 0.030 0.000 1.082 7 T CA 0.163 62.234 62.100 -0.049 0.000 1.133 7 T CB 0.819 69.700 68.868 0.022 0.000 1.019 7 T HN 0.546 nan 8.240 nan 0.000 0.548 8 Q N 4.613 124.398 119.800 -0.024 0.000 2.118 8 Q HA -0.234 4.107 4.340 0.003 0.000 0.211 8 Q C 2.272 178.298 176.000 0.043 0.000 0.998 8 Q CA 2.508 58.315 55.803 0.006 0.000 0.872 8 Q CB -1.609 27.126 28.738 -0.005 0.000 0.925 8 Q HN 0.862 nan 8.270 nan 0.000 0.414 9 A N 2.228 125.083 122.820 0.057 0.000 1.859 9 A HA -0.158 4.163 4.320 0.003 0.000 0.218 9 A C 2.608 180.251 177.584 0.098 0.000 1.242 9 A CA 3.479 55.564 52.037 0.079 0.000 0.661 9 A CB -1.564 17.491 19.000 0.092 0.000 0.842 9 A HN 0.823 nan 8.150 nan 0.000 0.455 10 A N -1.112 121.795 122.820 0.145 0.000 1.948 10 A HA -0.234 4.087 4.320 0.003 0.000 0.220 10 A C 2.248 179.915 177.584 0.137 0.000 1.177 10 A CA 2.137 54.296 52.037 0.204 0.000 0.636 10 A CB -0.563 18.671 19.000 0.390 0.000 0.815 10 A HN 0.597 nan 8.150 nan 0.000 0.449 11 R N -0.678 119.889 120.500 0.113 0.000 2.094 11 R HA -0.230 4.112 4.340 0.003 0.000 0.239 11 R C 2.272 178.562 176.300 -0.017 0.000 1.137 11 R CA 1.997 58.103 56.100 0.010 0.000 0.943 11 R CB -0.256 30.055 30.300 0.018 0.000 0.850 11 R HN 0.588 nan 8.270 nan 0.000 0.433 12 E N 0.176 120.384 120.200 0.014 0.000 2.110 12 E HA -0.140 4.212 4.350 0.003 0.000 0.193 12 E C 1.644 178.250 176.600 0.011 0.000 0.988 12 E CA 1.628 58.034 56.400 0.011 0.000 0.804 12 E CB -0.227 29.490 29.700 0.029 0.000 0.745 12 E HN 0.417 nan 8.360 nan 0.000 0.458 13 A N 0.560 123.397 122.820 0.029 0.000 1.908 13 A HA -0.176 4.146 4.320 0.003 0.000 0.218 13 A C 2.300 179.880 177.584 -0.007 0.000 1.181 13 A CA 1.678 53.734 52.037 0.031 0.000 0.627 13 A CB -0.791 18.244 19.000 0.058 0.000 0.818 13 A HN 0.352 nan 8.150 nan 0.000 0.445 14 L N -0.913 120.280 121.223 -0.049 0.000 2.005 14 L HA -0.175 4.167 4.340 0.003 0.000 0.207 14 L C 3.133 179.954 176.870 -0.082 0.000 1.072 14 L CA 1.136 55.913 54.840 -0.104 0.000 0.744 14 L CB -0.771 41.164 42.059 -0.207 0.000 0.895 14 L HN 0.411 nan 8.230 nan 0.000 0.433 15 A N -0.476 122.302 122.820 -0.070 0.000 1.917 15 A HA -0.257 4.065 4.320 0.003 0.000 0.219 15 A C 2.295 179.860 177.584 -0.032 0.000 1.182 15 A CA 1.614 53.619 52.037 -0.054 0.000 0.633 15 A CB -0.514 18.462 19.000 -0.039 0.000 0.819 15 A HN 0.458 nan 8.150 nan 0.000 0.448 16 Q N -0.562 119.231 119.800 -0.012 0.000 2.014 16 Q HA -0.228 4.113 4.340 0.003 0.000 0.207 16 Q C 2.517 178.525 176.000 0.014 0.000 0.993 16 Q CA 1.875 57.684 55.803 0.010 0.000 0.850 16 Q CB -0.904 27.852 28.738 0.029 0.000 0.916 16 Q HN 0.672 nan 8.270 nan 0.000 0.417 17 A N 1.070 123.897 122.820 0.013 0.000 1.908 17 A HA -0.281 4.041 4.320 0.003 0.000 0.218 17 A C 2.123 179.699 177.584 -0.013 0.000 1.181 17 A CA 1.962 54.022 52.037 0.039 0.000 0.627 17 A CB -0.719 18.295 19.000 0.023 0.000 0.818 17 A HN 0.482 nan 8.150 nan 0.000 0.445 18 Q N -0.296 119.465 119.800 -0.065 0.000 2.030 18 Q HA -0.150 4.192 4.340 0.003 0.000 0.204 18 Q C 1.969 177.922 176.000 -0.080 0.000 0.986 18 Q CA 2.232 57.972 55.803 -0.106 0.000 0.843 18 Q CB -0.247 28.433 28.738 -0.098 0.000 0.904 18 Q HN 0.419 nan 8.270 nan 0.000 0.420 19 V N 1.312 121.200 119.914 -0.044 0.000 2.490 19 V HA -0.252 3.869 4.120 0.003 0.000 0.250 19 V C 2.307 178.387 176.094 -0.023 0.000 1.061 19 V CA 1.416 63.698 62.300 -0.031 0.000 1.064 19 V CB -0.694 31.119 31.823 -0.016 0.000 0.670 19 V HN 0.418 nan 8.190 nan 0.000 0.461 20 L N 1.253 122.479 121.223 0.004 0.000 2.017 20 L HA -0.059 4.283 4.340 0.003 0.000 0.208 20 L C 2.515 179.394 176.870 0.014 0.000 1.073 20 L CA 2.351 57.210 54.840 0.030 0.000 0.745 20 L CB -1.140 40.978 42.059 0.099 0.000 0.894 20 L HN 0.197 nan 8.230 nan 0.000 0.432 21 A N -0.823 122.015 122.820 0.031 0.000 1.903 21 A HA -0.335 3.986 4.320 0.003 0.000 0.219 21 A C 2.173 179.691 177.584 -0.110 0.000 1.191 21 A CA 2.292 54.276 52.037 -0.088 0.000 0.638 21 A CB -0.760 18.014 19.000 -0.378 0.000 0.823 21 A HN 0.701 nan 8.150 nan 0.000 0.451 22 Q N -1.114 118.634 119.800 -0.086 0.000 2.002 22 Q HA -0.184 4.158 4.340 0.003 0.000 0.204 22 Q C 2.452 178.412 176.000 -0.066 0.000 0.988 22 Q CA 1.413 57.178 55.803 -0.063 0.000 0.843 22 Q CB -0.269 28.439 28.738 -0.049 0.000 0.908 22 Q HN 0.465 nan 8.270 nan 0.000 0.420 23 R N 0.309 120.771 120.500 -0.064 0.000 2.136 23 R HA -0.151 4.191 4.340 0.003 0.000 0.242 23 R C 1.934 178.182 176.300 -0.087 0.000 1.131 23 R CA 1.419 57.484 56.100 -0.059 0.000 0.937 23 R CB -0.571 29.701 30.300 -0.047 0.000 0.863 23 R HN 0.376 nan 8.270 nan 0.000 0.435 24 M N 1.599 121.092 119.600 -0.178 0.000 2.722 24 M HA -0.011 4.470 4.480 0.003 0.000 0.238 24 M C -0.124 176.082 176.300 -0.157 0.000 1.098 24 M CA 0.503 55.655 55.300 -0.247 0.000 1.062 24 M CB -0.186 32.095 32.600 -0.531 0.000 1.573 24 M HN 0.031 nan 8.290 nan 0.000 0.531 25 K N 0.597 120.949 120.400 -0.080 0.000 3.244 25 K HA -0.184 4.137 4.320 0.003 0.000 0.270 25 K C -0.555 176.150 176.600 0.175 0.000 1.016 25 K CA 0.678 56.986 56.287 0.034 0.000 0.754 25 K CB -2.654 29.877 32.500 0.051 0.000 1.326 25 K HN 0.594 nan 8.250 nan 0.000 0.465 26 H N -0.428 118.652 119.070 0.017 0.000 2.517 26 H HA 0.227 4.785 4.556 0.003 0.000 0.346 26 H C 1.417 176.704 175.328 -0.068 0.000 1.222 26 H CA -0.612 55.441 56.048 0.009 0.000 1.314 26 H CB 1.560 31.384 29.762 0.103 0.000 1.609 26 H HN 0.259 nan 8.280 nan 0.000 0.571 27 Q N 0.730 120.539 119.800 0.014 0.000 2.387 27 Q HA 0.241 4.583 4.340 0.003 0.000 0.212 27 Q C -0.320 175.449 176.000 -0.384 0.000 0.925 27 Q CA 0.097 55.827 55.803 -0.121 0.000 0.901 27 Q CB 0.707 29.407 28.738 -0.065 0.000 1.020 27 Q HN 0.650 nan 8.270 nan 0.000 0.545 28 A N 1.379 123.948 122.820 -0.418 0.000 2.258 28 A HA 0.457 4.779 4.320 0.003 0.000 0.316 28 A C -0.573 176.775 177.584 -0.394 0.000 1.279 28 A CA -0.580 51.050 52.037 -0.678 0.000 0.876 28 A CB 0.265 18.943 19.000 -0.537 0.000 1.170 28 A HN 0.415 nan 8.150 nan 0.000 0.520 29 I N 3.209 123.513 120.570 -0.444 0.000 2.460 29 I HA 0.019 4.191 4.170 0.003 0.000 0.297 29 I C 0.216 176.214 176.117 -0.198 0.000 1.139 29 I CA 0.170 61.186 61.300 -0.474 0.000 1.340 29 I CB -0.199 37.594 38.000 -0.345 0.000 1.444 29 I HN 0.621 nan 8.210 nan 0.000 0.557 30 D N 4.263 124.686 120.400 0.039 0.000 2.478 30 D HA 0.280 4.921 4.640 0.003 0.000 0.263 30 D C 1.164 177.575 176.300 0.186 0.000 1.153 30 D CA -0.449 53.644 54.000 0.156 0.000 1.038 30 D CB 1.230 42.142 40.800 0.185 0.000 1.120 30 D HN 0.239 nan 8.370 nan 0.000 0.564 31 L N 0.581 121.856 121.223 0.087 0.000 2.012 31 L HA -0.113 4.229 4.340 0.003 0.000 0.210 31 L C -0.748 176.155 176.870 0.054 0.000 1.073 31 L CA 1.174 56.004 54.840 -0.016 0.000 0.748 31 L CB -1.417 40.633 42.059 -0.016 0.000 0.891 31 L HN 0.394 nan 8.230 nan 0.000 0.431 32 P HA -0.204 nan 4.420 nan 0.000 0.217 32 P C 1.059 178.406 177.300 0.079 0.000 1.148 32 P CA 1.633 64.828 63.100 0.159 0.000 0.834 32 P CB -0.063 31.649 31.700 0.019 0.000 0.783 33 H N -1.901 117.223 119.070 0.089 0.000 2.326 33 H HA -0.075 4.482 4.556 0.002 0.000 0.301 33 H C 1.813 177.166 175.328 0.041 0.000 1.081 33 H CA 1.021 57.105 56.048 0.060 0.000 1.334 33 H CB -1.049 28.727 29.762 0.023 0.000 1.385 33 H HN 0.001 nan 8.280 nan 0.000 0.504 34 L N -0.304 120.980 121.223 0.101 0.000 2.046 34 L HA -0.150 4.191 4.340 0.003 0.000 0.208 34 L C 1.748 178.640 176.870 0.037 0.000 1.077 34 L CA 1.520 56.347 54.840 -0.021 0.000 0.747 34 L CB -0.667 41.278 42.059 -0.189 0.000 0.896 34 L HN 0.366 nan 8.230 nan 0.000 0.432 35 W N -0.806 120.524 121.300 0.050 0.000 2.352 35 W HA -0.242 4.420 4.660 0.002 0.000 0.322 35 W C 2.572 179.109 176.519 0.031 0.000 1.208 35 W CA 0.997 58.358 57.345 0.027 0.000 1.286 35 W CB -0.554 28.906 29.460 -0.000 0.000 1.167 35 W HN 0.234 nan 8.180 nan 0.000 0.469 36 A N 0.412 123.409 122.820 0.295 0.000 1.954 36 A HA -0.336 3.986 4.320 0.003 0.000 0.222 36 A C 1.923 179.602 177.584 0.158 0.000 1.199 36 A CA 3.323 55.462 52.037 0.169 0.000 0.657 36 A CB -1.509 17.548 19.000 0.095 0.000 0.823 36 A HN 0.382 nan 8.150 nan 0.000 0.463 37 V N -3.257 116.749 119.914 0.153 0.000 2.725 37 V HA 0.049 4.171 4.120 0.003 0.000 0.247 37 V C 2.190 178.375 176.094 0.151 0.000 1.058 37 V CA 1.431 63.807 62.300 0.127 0.000 1.080 37 V CB -0.655 31.224 31.823 0.094 0.000 0.713 37 V HN 0.418 nan 8.190 nan 0.000 0.465 38 L N 0.003 121.340 121.223 0.191 0.000 2.156 38 L HA 0.144 4.486 4.340 0.003 0.000 0.208 38 L C 1.302 178.325 176.870 0.255 0.000 1.095 38 L CA 1.059 56.028 54.840 0.215 0.000 0.770 38 L CB -0.117 42.095 42.059 0.256 0.000 0.914 38 L HN 0.293 nan 8.230 nan 0.000 0.439 39 L N 0.326 121.717 121.223 0.280 0.000 2.512 39 L HA 0.119 4.460 4.340 0.003 0.000 0.247 39 L C 1.064 178.131 176.870 0.329 0.000 1.204 39 L CA -0.104 54.928 54.840 0.320 0.000 1.153 39 L CB 0.132 42.303 42.059 0.187 0.000 1.415 39 L HN 0.111 nan 8.230 nan 0.000 0.406 40 K N -0.235 120.319 120.400 0.257 0.000 2.063 40 K HA 0.113 4.435 4.320 0.003 0.000 0.204 40 K C 0.199 176.862 176.600 0.105 0.000 1.039 40 K CA 0.580 56.968 56.287 0.168 0.000 0.957 40 K CB 0.361 32.928 32.500 0.112 0.000 0.764 40 K HN 0.391 nan 8.250 nan 0.000 0.447 41 D N -0.499 119.912 120.400 0.018 0.000 2.497 41 D HA 0.100 4.741 4.640 0.003 0.000 0.243 41 D C 0.488 176.410 176.300 -0.631 0.000 1.039 41 D CA -0.233 53.623 54.000 -0.239 0.000 1.052 41 D CB 1.491 42.197 40.800 -0.158 0.000 1.344 41 D HN 0.005 nan 8.370 nan 0.000 0.553 42 E N -0.081 119.512 120.200 -1.013 0.000 2.204 42 E HA -0.118 4.234 4.350 0.003 0.000 0.194 42 E C 1.508 177.724 176.600 -0.640 0.000 0.989 42 E CA 0.776 56.273 56.400 -1.505 0.000 0.824 42 E CB 0.220 29.401 29.700 -0.864 0.000 0.756 42 E HN 0.161 nan 8.360 nan 0.000 0.477 43 R N 0.904 121.214 120.500 -0.316 0.000 2.193 43 R HA 0.072 4.414 4.340 0.003 0.000 0.213 43 R C 0.666 176.976 176.300 0.016 0.000 1.055 43 R CA 0.058 56.110 56.100 -0.081 0.000 0.995 43 R CB 0.106 30.394 30.300 -0.019 0.000 0.893 43 R HN -0.081 nan 8.270 nan 0.000 0.459 44 S N 1.723 117.438 115.700 0.025 0.000 2.563 44 S HA -0.072 4.400 4.470 0.003 0.000 0.294 44 S C 1.200 175.866 174.600 0.109 0.000 1.279 44 S CA -0.357 57.916 58.200 0.122 0.000 1.069 44 S CB 0.712 64.037 63.200 0.208 0.000 0.828 44 S HN 0.165 nan 8.310 nan 0.000 0.497 45 L N 5.226 126.462 121.223 0.023 0.000 2.013 45 L HA -0.195 4.146 4.340 0.003 0.000 0.212 45 L C 2.318 179.183 176.870 -0.008 0.000 1.073 45 L CA 2.541 57.289 54.840 -0.154 0.000 0.753 45 L CB -1.152 40.810 42.059 -0.161 0.000 0.890 45 L HN 0.801 nan 8.230 nan 0.000 0.432 46 A N -1.168 121.718 122.820 0.109 0.000 1.978 46 A HA -0.277 4.045 4.320 0.003 0.000 0.220 46 A C 2.205 179.889 177.584 0.166 0.000 1.170 46 A CA 1.842 53.983 52.037 0.173 0.000 0.636 46 A CB -1.264 17.897 19.000 0.269 0.000 0.810 46 A HN 0.808 nan 8.150 nan 0.000 0.448 47 W N 0.801 122.103 121.300 0.003 0.000 2.444 47 W HA -0.068 4.594 4.660 0.004 0.000 0.308 47 W C 2.286 178.780 176.519 -0.042 0.000 1.183 47 W CA 1.435 58.767 57.345 -0.021 0.000 1.340 47 W CB -0.527 28.926 29.460 -0.011 0.000 1.138 47 W HN 0.349 nan 8.180 nan 0.000 0.510 48 R N 0.278 120.950 120.500 0.287 0.000 2.113 48 R HA -0.248 4.093 4.340 0.003 0.000 0.231 48 R C 2.243 178.580 176.300 0.061 0.000 1.129 48 R CA 2.123 58.306 56.100 0.138 0.000 0.915 48 R CB -1.505 28.772 30.300 -0.039 0.000 0.837 48 R HN 0.141 nan 8.270 nan 0.000 0.430 49 L N 1.120 122.338 121.223 -0.008 0.000 2.064 49 L HA -0.206 4.135 4.340 0.003 0.000 0.216 49 L C 2.009 178.882 176.870 0.005 0.000 1.077 49 L CA 1.736 56.570 54.840 -0.010 0.000 0.766 49 L CB -0.597 41.451 42.059 -0.018 0.000 0.890 49 L HN 0.160 nan 8.230 nan 0.000 0.435 50 L N -0.427 120.795 121.223 -0.002 0.000 2.109 50 L HA -0.127 4.214 4.340 0.003 0.000 0.207 50 L C 2.596 179.421 176.870 -0.076 0.000 1.086 50 L CA 1.973 56.778 54.840 -0.058 0.000 0.760 50 L CB -0.704 41.269 42.059 -0.143 0.000 0.910 50 L HN 0.551 nan 8.230 nan 0.000 0.437 51 E N -0.646 119.529 120.200 -0.041 0.000 2.152 51 E HA -0.247 4.105 4.350 0.003 0.000 0.192 51 E C 2.023 178.632 176.600 0.016 0.000 0.983 51 E CA 0.679 57.073 56.400 -0.011 0.000 0.818 51 E CB 0.021 29.788 29.700 0.111 0.000 0.758 51 E HN 0.327 nan 8.360 nan 0.000 0.467 52 K N -0.454 119.963 120.400 0.027 0.000 2.525 52 K HA 0.035 4.357 4.320 0.003 0.000 0.192 52 K C 0.927 177.532 176.600 0.009 0.000 1.029 52 K CA 0.732 57.033 56.287 0.024 0.000 1.029 52 K CB 0.185 32.702 32.500 0.028 0.000 0.814 52 K HN 0.120 nan 8.250 nan 0.000 0.503 53 A N -0.486 122.332 122.820 -0.004 0.000 2.470 53 A HA 0.375 4.697 4.320 0.003 0.000 0.251 53 A C 1.062 178.635 177.584 -0.018 0.000 1.245 53 A CA 0.310 52.342 52.037 -0.008 0.000 0.932 53 A CB 0.328 19.324 19.000 -0.006 0.000 1.037 53 A HN 0.411 nan 8.150 nan 0.000 0.522 54 G N -1.649 107.136 108.800 -0.024 0.000 2.238 54 G HA2 0.174 4.136 3.960 0.003 0.000 0.217 54 G HA3 0.174 4.136 3.960 0.003 0.000 0.217 54 G C 0.420 175.288 174.900 -0.053 0.000 0.996 54 G CA 0.010 45.091 45.100 -0.030 0.000 0.632 54 G HN 1.594 nan 8.290 nan 0.000 0.503 55 A N 0.873 123.644 122.820 -0.081 0.000 2.312 55 A HA 0.626 4.947 4.320 0.003 0.000 0.328 55 A C -0.125 177.359 177.584 -0.167 0.000 1.158 55 A CA 0.279 52.241 52.037 -0.125 0.000 0.821 55 A CB 0.726 19.634 19.000 -0.154 0.000 1.170 55 A HN 0.713 nan 8.150 nan 0.000 0.490 56 D N 2.676 122.963 120.400 -0.188 0.000 2.359 56 D HA 0.260 4.902 4.640 0.003 0.000 0.230 56 D C -2.257 173.789 176.300 -0.424 0.000 1.118 56 D CA -1.481 52.379 54.000 -0.234 0.000 0.844 56 D CB 1.343 42.062 40.800 -0.136 0.000 1.059 56 D HN 0.078 nan 8.370 nan 0.000 0.493 57 P HA -0.210 nan 4.420 nan 0.000 0.216 57 P C 1.484 178.160 177.300 -1.039 0.000 1.154 57 P CA 1.510 63.959 63.100 -1.085 0.000 0.865 57 P CB 0.262 30.792 31.700 -1.950 0.000 0.789 58 K N -0.422 119.374 120.400 -1.006 0.000 2.020 58 K HA -0.227 4.095 4.320 0.003 0.000 0.212 58 K C 2.041 178.479 176.600 -0.269 0.000 1.050 58 K CA 1.912 57.935 56.287 -0.441 0.000 0.929 58 K CB -0.765 31.740 32.500 0.010 0.000 0.714 58 K HN -0.012 nan 8.250 nan 0.000 0.443 59 A N 1.083 123.759 122.820 -0.240 0.000 1.908 59 A HA -0.184 4.138 4.320 0.003 0.000 0.218 59 A C 2.039 179.487 177.584 -0.227 0.000 1.181 59 A CA 1.573 53.502 52.037 -0.180 0.000 0.627 59 A CB -0.662 18.245 19.000 -0.154 0.000 0.818 59 A HN 0.406 nan 8.150 nan 0.000 0.445 60 L N 0.120 121.141 121.223 -0.337 0.000 1.970 60 L HA -0.170 4.172 4.340 0.003 0.000 0.212 60 L C 2.349 179.010 176.870 -0.347 0.000 1.071 60 L CA 2.855 57.451 54.840 -0.405 0.000 0.751 60 L CB -0.723 40.970 42.059 -0.610 0.000 0.889 60 L HN 0.475 nan 8.230 nan 0.000 0.432 61 K N -0.636 119.560 120.400 -0.340 0.000 2.074 61 K HA -0.290 4.031 4.320 0.003 0.000 0.209 61 K C 2.118 178.659 176.600 -0.099 0.000 1.048 61 K CA 2.035 58.216 56.287 -0.177 0.000 0.926 61 K CB -0.238 32.199 32.500 -0.105 0.000 0.713 61 K HN 0.495 nan 8.250 nan 0.000 0.444 62 E N 0.495 120.633 120.200 -0.103 0.000 2.033 62 E HA -0.196 4.156 4.350 0.003 0.000 0.199 62 E C 2.037 178.602 176.600 -0.057 0.000 1.011 62 E CA 1.820 58.186 56.400 -0.057 0.000 0.815 62 E CB -0.087 29.579 29.700 -0.056 0.000 0.755 62 E HN 0.313 nan 8.360 nan 0.000 0.451 63 L N 0.201 121.374 121.223 -0.085 0.000 2.141 63 L HA -0.181 4.160 4.340 0.003 0.000 0.209 63 L C 2.600 179.439 176.870 -0.053 0.000 1.094 63 L CA 0.754 55.553 54.840 -0.068 0.000 0.763 63 L CB -0.223 41.785 42.059 -0.085 0.000 0.908 63 L HN 0.202 nan 8.230 nan 0.000 0.437 64 Q N 0.483 120.242 119.800 -0.068 0.000 2.079 64 Q HA -0.195 4.146 4.340 0.003 0.000 0.200 64 Q C 1.989 177.987 176.000 -0.003 0.000 0.974 64 Q CA 1.566 57.358 55.803 -0.019 0.000 0.840 64 Q CB 0.008 28.743 28.738 -0.005 0.000 0.898 64 Q HN 0.434 nan 8.270 nan 0.000 0.430 65 E N -0.792 119.403 120.200 -0.008 0.000 2.204 65 E HA -0.174 4.177 4.350 0.003 0.000 0.194 65 E C 1.916 178.515 176.600 -0.001 0.000 0.989 65 E CA 0.463 56.863 56.400 -0.001 0.000 0.824 65 E CB 0.032 29.736 29.700 0.007 0.000 0.756 65 E HN 0.048 nan 8.360 nan 0.000 0.477 66 R N 1.467 121.962 120.500 -0.008 0.000 2.081 66 R HA -0.124 4.218 4.340 0.003 0.000 0.235 66 R C 1.787 178.084 176.300 -0.005 0.000 1.131 66 R CA 1.449 57.546 56.100 -0.006 0.000 0.960 66 R CB -0.093 30.200 30.300 -0.013 0.000 0.856 66 R HN 0.229 nan 8.270 nan 0.000 0.436 67 E N -0.099 120.095 120.200 -0.009 0.000 2.051 67 E HA -0.191 4.160 4.350 0.003 0.000 0.192 67 E C 2.028 178.614 176.600 -0.023 0.000 0.991 67 E CA 1.446 57.837 56.400 -0.015 0.000 0.799 67 E CB -0.254 29.442 29.700 -0.007 0.000 0.748 67 E HN 0.270 nan 8.360 nan 0.000 0.449 68 L N 0.767 121.982 121.223 -0.012 0.000 2.081 68 L HA -0.226 4.115 4.340 0.003 0.000 0.212 68 L C 2.561 179.500 176.870 0.115 0.000 1.080 68 L CA 1.158 56.035 54.840 0.062 0.000 0.754 68 L CB -0.507 41.570 42.059 0.031 0.000 0.893 68 L HN 0.151 nan 8.230 nan 0.000 0.433 69 A N -0.344 122.510 122.820 0.057 0.000 2.066 69 A HA -0.101 4.220 4.320 0.003 0.000 0.218 69 A C 2.090 179.694 177.584 0.033 0.000 1.157 69 A CA 0.927 52.998 52.037 0.057 0.000 0.670 69 A CB -0.314 18.705 19.000 0.031 0.000 0.804 69 A HN 0.340 nan 8.150 nan 0.000 0.453 70 R N -1.040 119.461 120.500 0.002 0.000 2.480 70 R HA 0.301 4.643 4.340 0.003 0.000 0.277 70 R C -1.046 175.224 176.300 -0.050 0.000 1.008 70 R CA -0.322 55.769 56.100 -0.015 0.000 1.090 70 R CB -0.018 30.273 30.300 -0.016 0.000 1.234 70 R HN 0.246 nan 8.270 nan 0.000 0.549 71 L N 0.847 122.017 121.223 -0.089 0.000 2.334 71 L HA 0.410 4.751 4.340 0.003 0.000 0.275 71 L C -2.089 174.709 176.870 -0.121 0.000 1.036 71 L CA -2.317 52.397 54.840 -0.210 0.000 0.807 71 L CB 1.120 42.791 42.059 -0.647 0.000 1.231 71 L HN -0.123 nan 8.230 nan 0.000 0.438 72 P HA 0.150 nan 4.420 nan 0.000 0.271 72 P C -1.142 176.160 177.300 0.003 0.000 1.216 72 P CA -0.282 62.799 63.100 -0.031 0.000 0.776 72 P CB 0.412 32.095 31.700 -0.027 0.000 0.881 73 K N 2.786 123.210 120.400 0.041 0.000 2.268 73 K HA 0.219 4.541 4.320 0.003 0.000 0.276 73 K C 0.576 177.206 176.600 0.050 0.000 1.080 73 K CA -0.378 55.953 56.287 0.074 0.000 0.910 73 K CB 0.769 33.308 32.500 0.065 0.000 1.163 73 K HN 0.277 nan 8.250 nan 0.000 0.465 74 V N -0.212 119.734 119.914 0.054 0.000 5.049 74 V HA 0.424 4.546 4.120 0.003 0.000 0.272 74 V C 0.393 176.507 176.094 0.033 0.000 1.299 74 V CA -0.117 62.205 62.300 0.037 0.000 0.684 74 V CB 0.374 32.217 31.823 0.034 0.000 1.251 74 V HN 0.572 nan 8.190 nan 0.000 0.380 75 E N -1.423 118.793 120.200 0.027 0.000 2.368 75 E HA 0.399 4.750 4.350 0.003 0.000 0.257 75 E C 0.721 177.330 176.600 0.016 0.000 1.022 75 E CA -0.008 56.404 56.400 0.020 0.000 0.886 75 E CB 0.685 30.396 29.700 0.018 0.000 1.740 75 E HN 0.856 nan 8.360 nan 0.000 0.456 76 G N 1.293 110.100 108.800 0.012 0.000 4.033 76 G HA2 -0.384 3.577 3.960 0.003 0.000 0.243 76 G HA3 -0.384 3.577 3.960 0.003 0.000 0.243 76 G C 1.060 175.965 174.900 0.008 0.000 0.867 76 G CA 2.416 47.521 45.100 0.008 0.000 0.718 76 G HN 0.550 nan 8.290 nan 0.000 1.461 77 A N -0.357 122.470 122.820 0.010 0.000 2.248 77 A HA 0.197 4.519 4.320 0.003 0.000 0.210 77 A C 2.021 179.616 177.584 0.020 0.000 1.174 77 A CA 1.785 53.829 52.037 0.012 0.000 0.750 77 A CB -0.237 18.771 19.000 0.013 0.000 0.780 77 A HN 0.653 nan 8.150 nan 0.000 0.478 78 E N -0.747 119.465 120.200 0.021 0.000 2.460 78 E HA 0.116 4.467 4.350 0.003 0.000 0.200 78 E C -0.472 176.132 176.600 0.007 0.000 1.011 78 E CA -0.246 56.172 56.400 0.029 0.000 0.912 78 E CB 0.494 30.216 29.700 0.036 0.000 0.953 78 E HN 0.325 nan 8.360 nan 0.000 0.494 79 V N 1.529 121.442 119.914 -0.001 0.000 2.521 79 V HA 0.132 4.253 4.120 0.003 0.000 0.286 79 V C 1.220 177.286 176.094 -0.047 0.000 1.034 79 V CA 0.863 63.154 62.300 -0.016 0.000 1.045 79 V CB 0.484 32.302 31.823 -0.010 0.000 0.974 79 V HN 0.510 nan 8.190 nan 0.000 0.480 80 G N 3.787 112.534 108.800 -0.089 0.000 2.283 80 G HA2 -0.352 3.610 3.960 0.003 0.000 0.280 80 G HA3 -0.352 3.610 3.960 0.003 0.000 0.280 80 G C 0.846 175.678 174.900 -0.113 0.000 1.029 80 G CA 0.899 45.917 45.100 -0.136 0.000 0.840 80 G HN 0.860 nan 8.290 nan 0.000 0.505 81 Q N -1.077 118.661 119.800 -0.103 0.000 2.135 81 Q HA 0.038 4.379 4.340 0.003 0.000 0.204 81 Q C 1.034 177.097 176.000 0.106 0.000 0.981 81 Q CA 1.956 57.768 55.803 0.015 0.000 0.856 81 Q CB -0.023 28.782 28.738 0.111 0.000 0.902 81 Q HN 1.289 nan 8.270 nan 0.000 0.425 82 Y N -4.146 116.127 120.300 -0.045 0.000 2.788 82 Y HA 0.514 5.066 4.550 0.003 0.000 0.335 82 Y C -1.878 173.986 175.900 -0.060 0.000 1.287 82 Y CA -1.651 56.420 58.100 -0.048 0.000 1.068 82 Y CB 0.555 38.994 38.460 -0.034 0.000 1.340 82 Y HN -0.198 nan 8.280 nan 0.000 0.449 83 L N 2.211 123.552 121.223 0.196 0.000 2.282 83 L HA 0.517 4.859 4.340 0.003 0.000 0.288 83 L C 0.215 177.219 176.870 0.224 0.000 1.033 83 L CA -0.108 54.781 54.840 0.081 0.000 0.807 83 L CB 1.573 43.646 42.059 0.023 0.000 1.209 83 L HN 0.843 nan 8.230 nan 0.000 0.423 84 T N 1.071 115.700 114.554 0.124 0.000 2.908 84 T HA -0.080 4.271 4.350 0.003 0.000 0.325 84 T C 1.440 176.209 174.700 0.115 0.000 1.092 84 T CA 0.570 62.771 62.100 0.169 0.000 1.125 84 T CB 0.727 69.648 68.868 0.090 0.000 1.016 84 T HN 0.762 nan 8.240 nan 0.000 0.550 85 S N 2.002 117.763 115.700 0.100 0.000 2.370 85 S HA -0.164 4.308 4.470 0.003 0.000 0.226 85 S C 2.104 176.732 174.600 0.046 0.000 1.033 85 S CA 1.367 59.602 58.200 0.058 0.000 1.011 85 S CB -0.168 63.056 63.200 0.041 0.000 0.852 85 S HN 0.637 nan 8.310 nan 0.000 0.457 86 R N 0.218 120.747 120.500 0.048 0.000 2.080 86 R HA -0.108 4.234 4.340 0.003 0.000 0.236 86 R C 2.383 178.698 176.300 0.026 0.000 1.137 86 R CA 1.666 57.789 56.100 0.038 0.000 0.943 86 R CB -0.957 29.369 30.300 0.044 0.000 0.846 86 R HN 0.404 nan 8.270 nan 0.000 0.431 87 L N 1.214 122.448 121.223 0.019 0.000 1.970 87 L HA -0.193 4.149 4.340 0.003 0.000 0.212 87 L C 2.151 179.026 176.870 0.008 0.000 1.071 87 L CA 1.966 56.802 54.840 -0.007 0.000 0.751 87 L CB -0.708 41.339 42.059 -0.020 0.000 0.889 87 L HN 0.048 nan 8.230 nan 0.000 0.432 88 S N 0.035 115.747 115.700 0.019 0.000 2.365 88 S HA -0.203 4.268 4.470 0.003 0.000 0.225 88 S C 1.931 176.560 174.600 0.049 0.000 1.039 88 S CA 1.304 59.521 58.200 0.028 0.000 1.033 88 S CB -1.377 61.842 63.200 0.031 0.000 0.887 88 S HN 0.748 nan 8.310 nan 0.000 0.447 89 G N 1.427 110.252 108.800 0.041 0.000 2.491 89 G HA2 -0.139 3.823 3.960 0.003 0.000 0.218 89 G HA3 -0.139 3.823 3.960 0.003 0.000 0.218 89 G C 1.597 176.528 174.900 0.052 0.000 1.180 89 G CA 1.122 46.247 45.100 0.043 0.000 0.774 89 G HN 0.618 nan 8.290 nan 0.000 0.562 90 A N 0.525 123.371 122.820 0.044 0.000 1.877 90 A HA 0.069 4.390 4.320 0.003 0.000 0.216 90 A C 2.484 180.129 177.584 0.102 0.000 1.186 90 A CA 1.436 53.500 52.037 0.045 0.000 0.620 90 A CB -0.473 18.529 19.000 0.004 0.000 0.822 90 A HN 0.363 nan 8.150 nan 0.000 0.443 91 L N -0.499 120.812 121.223 0.147 0.000 2.013 91 L HA -0.265 4.076 4.340 0.003 0.000 0.212 91 L C 2.321 179.421 176.870 0.383 0.000 1.073 91 L CA 1.947 56.997 54.840 0.349 0.000 0.753 91 L CB -0.662 41.505 42.059 0.181 0.000 0.890 91 L HN 0.512 nan 8.230 nan 0.000 0.432 92 N N -1.062 117.766 118.700 0.213 0.000 2.331 92 N HA -0.137 4.605 4.740 0.003 0.000 0.180 92 N C 1.950 177.508 175.510 0.080 0.000 1.019 92 N CA 0.059 53.204 53.050 0.158 0.000 0.881 92 N CB 0.076 38.625 38.487 0.104 0.000 0.972 92 N HN 0.149 nan 8.380 nan 0.000 0.435 93 R N 1.375 121.913 120.500 0.063 0.000 2.193 93 R HA 0.105 4.447 4.340 0.003 0.000 0.213 93 R C 1.732 178.023 176.300 -0.016 0.000 1.055 93 R CA 0.589 56.702 56.100 0.021 0.000 0.995 93 R CB -0.310 30.004 30.300 0.024 0.000 0.893 93 R HN 0.170 nan 8.270 nan 0.000 0.459 94 A N 0.788 123.593 122.820 -0.026 0.000 1.969 94 A HA -0.123 4.198 4.320 0.003 0.000 0.218 94 A C 1.890 179.324 177.584 -0.249 0.000 1.169 94 A CA 1.202 53.152 52.037 -0.144 0.000 0.635 94 A CB -0.205 18.670 19.000 -0.208 0.000 0.810 94 A HN 0.418 nan 8.150 nan 0.000 0.445 95 E N -0.648 119.424 120.200 -0.213 0.000 2.107 95 E HA -0.068 4.284 4.350 0.003 0.000 0.191 95 E C 2.077 178.605 176.600 -0.120 0.000 0.982 95 E CA 0.624 56.898 56.400 -0.210 0.000 0.809 95 E CB -0.314 29.328 29.700 -0.098 0.000 0.756 95 E HN 0.599 nan 8.360 nan 0.000 0.459 96 G N 1.114 109.871 108.800 -0.071 0.000 2.443 96 G HA2 -0.190 3.771 3.960 0.003 0.000 0.219 96 G HA3 -0.190 3.771 3.960 0.003 0.000 0.219 96 G C 1.519 176.385 174.900 -0.057 0.000 1.131 96 G CA 0.342 45.413 45.100 -0.048 0.000 0.775 96 G HN 0.087 nan 8.290 nan 0.000 0.547 97 L N 0.167 121.345 121.223 -0.074 0.000 2.307 97 L HA 0.129 4.470 4.340 0.003 0.000 0.211 97 L C 2.827 179.647 176.870 -0.083 0.000 1.099 97 L CA 0.802 55.601 54.840 -0.067 0.000 0.816 97 L CB -0.296 41.726 42.059 -0.062 0.000 0.952 97 L HN 0.395 nan 8.230 nan 0.000 0.455 98 M N -1.445 118.080 119.600 -0.123 0.000 2.557 98 M HA -0.048 4.434 4.480 0.003 0.000 0.259 98 M C 1.475 177.715 176.300 -0.100 0.000 1.086 98 M CA 1.528 56.752 55.300 -0.128 0.000 1.096 98 M CB -0.266 32.220 32.600 -0.191 0.000 1.424 98 M HN 0.085 nan 8.290 nan 0.000 0.488 99 E N 1.316 121.465 120.200 -0.085 0.000 2.099 99 E HA -0.052 4.299 4.350 0.003 0.000 0.191 99 E C 1.622 178.191 176.600 -0.052 0.000 0.962 99 E CA 0.842 57.202 56.400 -0.067 0.000 0.826 99 E CB -0.066 29.601 29.700 -0.056 0.000 0.788 99 E HN 0.674 nan 8.360 nan 0.000 0.461 100 E N 0.651 120.824 120.200 -0.045 0.000 2.455 100 E HA -0.087 4.265 4.350 0.003 0.000 0.202 100 E C 0.060 176.641 176.600 -0.032 0.000 1.045 100 E CA 0.501 56.882 56.400 -0.033 0.000 0.872 100 E CB -0.007 29.677 29.700 -0.028 0.000 0.792 100 E HN 0.176 nan 8.360 nan 0.000 0.542 101 L N 0.200 121.399 121.223 -0.040 0.000 2.386 101 L HA 0.269 4.611 4.340 0.003 0.000 0.271 101 L C 0.715 177.558 176.870 -0.045 0.000 0.993 101 L CA -0.870 53.949 54.840 -0.035 0.000 0.819 101 L CB 1.676 43.715 42.059 -0.033 0.000 1.294 101 L HN -0.289 nan 8.230 nan 0.000 0.414 102 K N 0.780 121.156 120.400 -0.039 0.000 2.362 102 K HA -0.113 4.209 4.320 0.003 0.000 0.202 102 K C 0.133 176.693 176.600 -0.066 0.000 1.045 102 K CA 0.809 57.067 56.287 -0.049 0.000 0.936 102 K CB -0.286 32.192 32.500 -0.037 0.000 0.747 102 K HN 0.483 nan 8.250 nan 0.000 0.467 103 D N 0.958 121.324 120.400 -0.058 0.000 2.581 103 D HA -0.111 4.530 4.640 0.003 0.000 0.238 103 D C 0.917 177.142 176.300 -0.125 0.000 1.145 103 D CA 0.297 54.258 54.000 -0.065 0.000 0.866 103 D CB 0.746 41.522 40.800 -0.039 0.000 1.151 103 D HN 0.076 nan 8.370 nan 0.000 0.500 104 R N 2.412 122.789 120.500 -0.205 0.000 2.189 104 R HA -0.066 4.275 4.340 0.003 0.000 0.218 104 R C -0.304 175.673 176.300 -0.538 0.000 1.074 104 R CA 1.235 57.090 56.100 -0.407 0.000 0.991 104 R CB 0.003 29.953 30.300 -0.582 0.000 0.883 104 R HN 0.410 nan 8.270 nan 0.000 0.457 105 Y N -2.481 117.782 120.300 -0.061 0.000 2.659 105 Y HA 0.449 5.000 4.550 0.002 0.000 0.333 105 Y C -0.356 175.441 175.900 -0.171 0.000 1.064 105 Y CA -1.608 56.438 58.100 -0.089 0.000 1.141 105 Y CB 1.479 39.924 38.460 -0.026 0.000 1.316 105 Y HN -0.452 nan 8.280 nan 0.000 0.509 106 V N 2.302 122.159 119.914 -0.095 0.000 2.304 106 V HA 0.583 4.705 4.120 0.003 0.000 0.262 106 V C 0.347 176.368 176.094 -0.122 0.000 1.061 106 V CA -0.885 61.202 62.300 -0.354 0.000 0.872 106 V CB -0.317 30.809 31.823 -1.161 0.000 1.077 106 V HN 0.829 nan 8.190 nan 0.000 0.480 107 A N 4.353 127.153 122.820 -0.035 0.000 2.280 107 A HA 0.508 4.829 4.320 0.003 0.000 0.268 107 A C 1.514 179.132 177.584 0.057 0.000 1.111 107 A CA 0.237 52.301 52.037 0.045 0.000 0.814 107 A CB 0.648 19.682 19.000 0.057 0.000 1.093 107 A HN 1.151 nan 8.150 nan 0.000 0.498 108 V N -1.159 118.811 119.914 0.093 0.000 2.490 108 V HA -0.184 3.937 4.120 0.003 0.000 0.250 108 V C 1.672 177.809 176.094 0.072 0.000 1.061 108 V CA 2.277 64.638 62.300 0.101 0.000 1.064 108 V CB -1.244 30.644 31.823 0.108 0.000 0.670 108 V HN 0.894 nan 8.190 nan 0.000 0.461 109 D N 1.937 122.370 120.400 0.055 0.000 2.123 109 D HA -0.212 4.430 4.640 0.003 0.000 0.200 109 D C 2.170 178.484 176.300 0.024 0.000 0.976 109 D CA 2.053 56.076 54.000 0.038 0.000 0.831 109 D CB -0.941 39.877 40.800 0.029 0.000 0.974 109 D HN 0.639 nan 8.370 nan 0.000 0.469 110 T N -0.596 113.959 114.554 0.002 0.000 2.881 110 T HA -0.132 4.220 4.350 0.003 0.000 0.270 110 T C 2.032 176.710 174.700 -0.037 0.000 1.068 110 T CA 0.828 62.908 62.100 -0.033 0.000 1.131 110 T CB -0.454 68.365 68.868 -0.082 0.000 0.871 110 T HN 0.106 nan 8.240 nan 0.000 0.479 111 L N 1.150 122.367 121.223 -0.009 0.000 2.156 111 L HA 0.224 4.566 4.340 0.003 0.000 0.208 111 L C 2.482 179.354 176.870 0.004 0.000 1.095 111 L CA 1.078 55.933 54.840 0.026 0.000 0.770 111 L CB -0.702 41.431 42.059 0.123 0.000 0.914 111 L HN 0.158 nan 8.230 nan 0.000 0.439 112 V N -0.173 119.762 119.914 0.034 0.000 2.343 112 V HA -0.296 3.826 4.120 0.003 0.000 0.247 112 V C 2.588 178.743 176.094 0.102 0.000 1.051 112 V CA 1.958 64.308 62.300 0.084 0.000 1.036 112 V CB -0.595 31.316 31.823 0.146 0.000 0.654 112 V HN 0.429 nan 8.190 nan 0.000 0.451 113 L N 0.208 121.469 121.223 0.064 0.000 1.971 113 L HA -0.231 4.111 4.340 0.003 0.000 0.215 113 L C 2.828 179.729 176.870 0.052 0.000 1.072 113 L CA 1.880 56.755 54.840 0.058 0.000 0.758 113 L CB -1.054 41.020 42.059 0.025 0.000 0.889 113 L HN 0.361 nan 8.230 nan 0.000 0.433 114 A N 0.367 123.198 122.820 0.019 0.000 1.884 114 A HA -0.237 4.085 4.320 0.003 0.000 0.219 114 A C 2.251 179.841 177.584 0.008 0.000 1.197 114 A CA 2.046 54.090 52.037 0.011 0.000 0.637 114 A CB -0.995 18.008 19.000 0.006 0.000 0.827 114 A HN 0.405 nan 8.150 nan 0.000 0.450 115 L N -1.100 120.089 121.223 -0.058 0.000 2.083 115 L HA -0.190 4.151 4.340 0.003 0.000 0.209 115 L C 3.114 180.105 176.870 0.201 0.000 1.083 115 L CA 0.993 55.745 54.840 -0.147 0.000 0.752 115 L CB -0.763 40.825 42.059 -0.784 0.000 0.899 115 L HN 0.481 nan 8.230 nan 0.000 0.433 116 A N 0.435 123.421 122.820 0.277 0.000 1.883 116 A HA -0.236 4.085 4.320 0.003 0.000 0.217 116 A C 2.167 179.858 177.584 0.178 0.000 1.186 116 A CA 1.857 54.078 52.037 0.306 0.000 0.624 116 A CB -0.445 18.676 19.000 0.201 0.000 0.822 116 A HN 0.492 nan 8.150 nan 0.000 0.444 117 E N -0.201 120.067 120.200 0.114 0.000 2.031 117 E HA -0.104 4.247 4.350 0.003 0.000 0.193 117 E C 2.256 178.906 176.600 0.083 0.000 0.994 117 E CA 0.992 57.438 56.400 0.076 0.000 0.800 117 E CB -0.378 29.352 29.700 0.050 0.000 0.752 117 E HN 0.586 nan 8.360 nan 0.000 0.447 118 A N 1.112 123.982 122.820 0.083 0.000 2.131 118 A HA -0.092 4.230 4.320 0.003 0.000 0.220 118 A C 1.079 178.734 177.584 0.119 0.000 1.158 118 A CA 1.000 53.085 52.037 0.079 0.000 0.665 118 A CB -0.368 18.660 19.000 0.047 0.000 0.795 118 A HN 0.134 nan 8.150 nan 0.000 0.460 119 T N 1.756 116.418 114.554 0.180 0.000 2.758 119 T HA 0.495 4.847 4.350 0.003 0.000 0.285 119 T C -2.759 172.005 174.700 0.106 0.000 0.981 119 T CA -1.146 61.072 62.100 0.196 0.000 0.965 119 T CB 1.605 70.697 68.868 0.372 0.000 0.927 119 T HN 0.016 nan 8.240 nan 0.000 0.448 120 P HA 0.341 nan 4.420 nan 0.000 0.269 120 P C 1.129 178.431 177.300 0.005 0.000 1.215 120 P CA 0.562 63.681 63.100 0.032 0.000 0.780 120 P CB 0.399 32.114 31.700 0.026 0.000 0.898 121 G N -0.162 108.633 108.800 -0.008 0.000 2.199 121 G HA2 -0.180 3.782 3.960 0.003 0.000 0.254 121 G HA3 -0.180 3.782 3.960 0.003 0.000 0.254 121 G C -0.300 174.571 174.900 -0.049 0.000 0.982 121 G CA 0.388 45.469 45.100 -0.032 0.000 0.632 121 G HN 0.567 nan 8.290 nan 0.000 0.529 122 L N -2.519 118.680 121.223 -0.040 0.000 2.309 122 L HA 0.956 5.297 4.340 0.003 0.000 0.261 122 L C -2.212 174.645 176.870 -0.022 0.000 1.021 122 L CA -3.126 51.681 54.840 -0.055 0.000 0.823 122 L CB -0.651 41.347 42.059 -0.101 0.000 1.366 122 L HN -0.117 nan 8.230 nan 0.000 0.423 123 P HA 0.132 nan 4.420 nan 0.000 0.267 123 P C 0.018 177.323 177.300 0.008 0.000 1.158 123 P CA 0.809 63.903 63.100 -0.010 0.000 0.756 123 P CB 0.110 31.801 31.700 -0.016 0.000 0.766 124 G N 1.270 110.075 108.800 0.008 0.000 2.476 124 G HA2 0.291 4.253 3.960 0.003 0.000 0.286 124 G HA3 0.291 4.253 3.960 0.003 0.000 0.286 124 G C 0.798 175.708 174.900 0.016 0.000 1.177 124 G CA -0.753 44.355 45.100 0.014 0.000 0.870 124 G HN 0.392 nan 8.290 nan 0.000 0.528 125 L N 0.293 121.527 121.223 0.019 0.000 2.171 125 L HA -0.226 4.116 4.340 0.003 0.000 0.216 125 L C 2.525 179.402 176.870 0.012 0.000 1.084 125 L CA 2.153 57.003 54.840 0.017 0.000 0.771 125 L CB -0.757 41.310 42.059 0.013 0.000 0.890 125 L HN 0.854 nan 8.230 nan 0.000 0.437 126 E N -0.189 120.016 120.200 0.009 0.000 2.000 126 E HA -0.281 4.070 4.350 0.003 0.000 0.199 126 E C 2.254 178.858 176.600 0.007 0.000 1.011 126 E CA 1.463 57.867 56.400 0.007 0.000 0.836 126 E CB -0.208 29.495 29.700 0.005 0.000 0.778 126 E HN 0.437 nan 8.360 nan 0.000 0.462 127 A N 0.571 123.395 122.820 0.007 0.000 2.019 127 A HA -0.131 4.191 4.320 0.003 0.000 0.219 127 A C 2.214 179.803 177.584 0.009 0.000 1.164 127 A CA 1.121 53.161 52.037 0.006 0.000 0.644 127 A CB -0.593 18.408 19.000 0.002 0.000 0.805 127 A HN 0.321 nan 8.150 nan 0.000 0.449 128 L N -0.801 120.429 121.223 0.012 0.000 2.005 128 L HA -0.186 4.155 4.340 0.003 0.000 0.207 128 L C 2.550 179.430 176.870 0.017 0.000 1.072 128 L CA 1.788 56.639 54.840 0.018 0.000 0.744 128 L CB -0.540 41.535 42.059 0.028 0.000 0.895 128 L HN 0.321 nan 8.230 nan 0.000 0.433 129 K N 0.163 120.572 120.400 0.014 0.000 2.147 129 K HA -0.114 4.207 4.320 0.003 0.000 0.205 129 K C 2.088 178.695 176.600 0.012 0.000 1.049 129 K CA 1.148 57.441 56.287 0.011 0.000 0.936 129 K CB -0.481 32.023 32.500 0.007 0.000 0.722 129 K HN 0.415 nan 8.250 nan 0.000 0.446 130 G N 1.627 110.434 108.800 0.011 0.000 2.552 130 G HA2 -0.315 3.646 3.960 0.003 0.000 0.216 130 G HA3 -0.315 3.646 3.960 0.003 0.000 0.216 130 G C 1.665 176.574 174.900 0.015 0.000 1.240 130 G CA 1.221 46.328 45.100 0.012 0.000 0.796 130 G HN 0.349 nan 8.290 nan 0.000 0.568 131 A N 0.558 123.386 122.820 0.014 0.000 1.915 131 A HA -0.149 4.172 4.320 0.003 0.000 0.220 131 A C 2.442 180.036 177.584 0.017 0.000 1.198 131 A CA 1.986 54.032 52.037 0.015 0.000 0.647 131 A CB -0.705 18.302 19.000 0.012 0.000 0.825 131 A HN 0.533 nan 8.150 nan 0.000 0.456 132 L N -0.704 120.528 121.223 0.016 0.000 1.971 132 L HA -0.286 4.055 4.340 0.003 0.000 0.215 132 L C 2.571 179.458 176.870 0.028 0.000 1.072 132 L CA 2.677 57.527 54.840 0.018 0.000 0.758 132 L CB -0.436 41.634 42.059 0.017 0.000 0.889 132 L HN 0.523 nan 8.230 nan 0.000 0.433 133 K N 0.025 120.440 120.400 0.025 0.000 2.001 133 K HA -0.327 3.994 4.320 0.003 0.000 0.214 133 K C 1.985 178.606 176.600 0.035 0.000 1.050 133 K CA 2.275 58.578 56.287 0.027 0.000 0.934 133 K CB -0.351 32.160 32.500 0.019 0.000 0.718 133 K HN 0.447 nan 8.250 nan 0.000 0.443 134 E N 0.460 120.679 120.200 0.031 0.000 2.444 134 E HA -0.204 4.147 4.350 0.003 0.000 0.204 134 E C 1.583 178.214 176.600 0.052 0.000 1.049 134 E CA 0.529 56.951 56.400 0.036 0.000 0.872 134 E CB 0.047 29.765 29.700 0.030 0.000 0.791 134 E HN 0.338 nan 8.360 nan 0.000 0.548 135 L N -0.919 120.343 121.223 0.065 0.000 2.117 135 L HA 0.017 4.359 4.340 0.003 0.000 0.200 135 L C 2.650 179.591 176.870 0.120 0.000 1.110 135 L CA 0.943 55.850 54.840 0.111 0.000 0.774 135 L CB -0.285 41.851 42.059 0.128 0.000 0.934 135 L HN 0.025 nan 8.230 nan 0.000 0.456 136 R N -0.417 120.152 120.500 0.115 0.000 2.040 136 R HA 0.179 4.521 4.340 0.003 0.000 0.209 136 R C 0.905 177.238 176.300 0.054 0.000 1.281 136 R CA 1.212 57.364 56.100 0.087 0.000 1.064 136 R CB -0.076 30.283 30.300 0.099 0.000 0.950 136 R HN 0.391 nan 8.270 nan 0.000 0.462 137 G N -0.626 108.204 108.800 0.050 0.000 2.140 137 G HA2 -0.120 3.841 3.960 0.003 0.000 0.211 137 G HA3 -0.120 3.841 3.960 0.003 0.000 0.211 137 G C 0.155 175.072 174.900 0.027 0.000 1.013 137 G CA 0.087 45.206 45.100 0.033 0.000 0.705 137 G HN 0.749 nan 8.290 nan 0.000 0.508 138 G N -1.177 107.643 108.800 0.033 0.000 2.828 138 G HA2 0.755 4.717 3.960 0.003 0.000 0.244 138 G HA3 0.755 4.717 3.960 0.003 0.000 0.244 138 G C 0.073 174.988 174.900 0.024 0.000 1.365 138 G CA -0.149 44.967 45.100 0.027 0.000 1.041 138 G HN 0.472 nan 8.290 nan 0.000 0.560 139 R N -1.676 118.838 120.500 0.023 0.000 2.944 139 R HA 0.575 4.917 4.340 0.003 0.000 0.233 139 R C -0.621 175.701 176.300 0.037 0.000 1.346 139 R CA -0.285 55.825 56.100 0.017 0.000 1.082 139 R CB 1.348 31.651 30.300 0.005 0.000 1.434 139 R HN 0.582 nan 8.270 nan 0.000 0.510 140 T N -0.710 113.868 114.554 0.039 0.000 3.053 140 T HA 0.520 4.871 4.350 0.003 0.000 0.363 140 T C -0.870 173.921 174.700 0.152 0.000 1.239 140 T CA -0.588 61.569 62.100 0.094 0.000 1.071 140 T CB 0.552 69.483 68.868 0.106 0.000 1.089 140 T HN 0.167 nan 8.240 nan 0.000 0.527 141 V N 4.326 124.328 119.914 0.147 0.000 3.063 141 V HA 0.256 4.377 4.120 0.003 0.000 0.249 141 V C -0.603 175.558 176.094 0.111 0.000 0.908 141 V CA -0.897 61.508 62.300 0.175 0.000 0.966 141 V CB 1.049 32.932 31.823 0.100 0.000 1.015 141 V HN 0.993 nan 8.190 nan 0.000 0.512 142 Q N 1.356 121.217 119.800 0.101 0.000 2.282 142 Q HA 0.829 5.171 4.340 0.003 0.000 0.260 142 Q C -0.532 175.489 176.000 0.034 0.000 0.964 142 Q CA -0.548 55.289 55.803 0.056 0.000 0.880 142 Q CB 2.875 31.643 28.738 0.050 0.000 1.286 142 Q HN 0.354 nan 8.270 nan 0.000 0.445 143 T N 0.948 115.514 114.554 0.020 0.000 3.525 143 T HA 0.086 4.437 4.350 0.003 0.000 0.286 143 T C -0.874 173.819 174.700 -0.011 0.000 0.944 143 T CA 0.257 62.359 62.100 0.004 0.000 1.063 143 T CB 0.483 69.350 68.868 -0.002 0.000 1.179 143 T HN 0.682 nan 8.240 nan 0.000 0.493 144 E N 0.435 120.614 120.200 -0.035 0.000 2.275 144 E HA 0.464 4.815 4.350 0.003 0.000 0.270 144 E C -0.650 175.936 176.600 -0.023 0.000 0.882 144 E CA -0.490 55.857 56.400 -0.089 0.000 0.758 144 E CB 0.376 29.931 29.700 -0.243 0.000 1.195 144 E HN 0.517 nan 8.360 nan 0.000 0.419 145 H N 0.813 119.876 119.070 -0.013 0.000 3.366 145 H HA -0.238 4.320 4.556 0.003 0.000 0.233 145 H C -0.549 174.764 175.328 -0.025 0.000 1.102 145 H CA 0.429 56.463 56.048 -0.023 0.000 1.184 145 H CB -0.985 28.763 29.762 -0.023 0.000 1.216 145 H HN 0.422 nan 8.280 nan 0.000 0.317 146 A N 1.496 124.374 122.820 0.095 0.000 2.331 146 A HA 0.623 4.944 4.320 0.003 0.000 0.320 146 A C -0.197 177.410 177.584 0.039 0.000 1.138 146 A CA 0.135 52.203 52.037 0.053 0.000 0.790 146 A CB 1.312 20.341 19.000 0.047 0.000 1.206 146 A HN 0.446 nan 8.150 nan 0.000 0.470 147 E N 0.360 120.576 120.200 0.027 0.000 3.419 147 E HA 0.095 4.446 4.350 0.003 0.000 0.330 147 E C -0.755 175.856 176.600 0.019 0.000 1.127 147 E CA -0.304 56.116 56.400 0.033 0.000 0.899 147 E CB -0.653 29.062 29.700 0.026 0.000 1.169 147 E HN 0.886 nan 8.360 nan 0.000 0.498 148 S N 1.990 117.743 115.700 0.089 0.000 2.711 148 S HA 0.053 4.524 4.470 0.003 0.000 0.335 148 S C 0.149 174.784 174.600 0.059 0.000 1.175 148 S CA -0.062 58.241 58.200 0.172 0.000 1.372 148 S CB -0.363 63.076 63.200 0.399 0.000 1.337 148 S HN 0.454 nan 8.310 nan 0.000 0.572 149 T N 4.645 119.035 114.554 -0.274 0.000 3.176 149 T HA 0.268 4.619 4.350 0.003 0.000 0.301 149 T C -0.457 173.990 174.700 -0.421 0.000 1.115 149 T CA -0.182 61.755 62.100 -0.270 0.000 1.027 149 T CB -0.591 68.125 68.868 -0.254 0.000 1.063 149 T HN 0.766 nan 8.240 nan 0.000 0.669 150 Y N -0.089 120.211 120.300 0.001 0.000 2.610 150 Y HA 0.326 4.880 4.550 0.006 0.000 0.254 150 Y C 1.021 176.930 175.900 0.015 0.000 1.110 150 Y CA -1.022 57.082 58.100 0.007 0.000 1.238 150 Y CB 0.351 38.828 38.460 0.027 0.000 1.322 150 Y HN 0.367 nan 8.280 nan 0.000 0.547 151 N N 1.303 120.101 118.700 0.164 0.000 2.498 151 N HA 0.267 5.009 4.740 0.003 0.000 0.287 151 N C 1.049 176.620 175.510 0.102 0.000 1.097 151 N CA 0.736 53.858 53.050 0.121 0.000 0.973 151 N CB 2.032 40.587 38.487 0.113 0.000 1.153 151 N HN 0.213 nan 8.380 nan 0.000 0.472 152 A N 4.159 127.058 122.820 0.131 0.000 1.969 152 A HA -0.058 4.264 4.320 0.003 0.000 0.218 152 A C 2.175 179.906 177.584 0.245 0.000 1.169 152 A CA 0.978 53.157 52.037 0.238 0.000 0.635 152 A CB -0.343 18.741 19.000 0.140 0.000 0.810 152 A HN 0.746 nan 8.150 nan 0.000 0.445 153 L N -0.846 120.455 121.223 0.130 0.000 2.023 153 L HA -0.151 4.190 4.340 0.003 0.000 0.205 153 L C 2.546 179.456 176.870 0.066 0.000 1.073 153 L CA 1.508 56.408 54.840 0.101 0.000 0.745 153 L CB -0.671 41.433 42.059 0.075 0.000 0.900 153 L HN 0.444 nan 8.230 nan 0.000 0.435 154 E N -0.273 119.953 120.200 0.042 0.000 2.153 154 E HA -0.290 4.061 4.350 0.003 0.000 0.194 154 E C 2.037 178.590 176.600 -0.078 0.000 0.988 154 E CA 1.032 57.431 56.400 -0.001 0.000 0.811 154 E CB -0.036 29.670 29.700 0.009 0.000 0.746 154 E HN 0.343 nan 8.360 nan 0.000 0.466 155 Q N -0.699 119.029 119.800 -0.121 0.000 2.398 155 Q HA -0.026 4.316 4.340 0.003 0.000 0.204 155 Q C 0.046 175.617 176.000 -0.715 0.000 0.932 155 Q CA 0.871 56.426 55.803 -0.414 0.000 0.916 155 Q CB 0.452 28.912 28.738 -0.463 0.000 1.024 155 Q HN 0.343 nan 8.270 nan 0.000 0.504 156 Y N -2.189 118.083 120.300 -0.048 0.000 2.809 156 Y HA 0.559 5.111 4.550 0.003 0.000 0.251 156 Y C 0.181 176.055 175.900 -0.043 0.000 1.136 156 Y CA -0.328 57.736 58.100 -0.060 0.000 1.185 156 Y CB 1.410 39.815 38.460 -0.091 0.000 1.260 156 Y HN -0.021 nan 8.280 nan 0.000 0.576 157 G N 0.362 109.203 108.800 0.068 0.000 2.733 157 G HA2 0.604 4.566 3.960 0.003 0.000 0.297 157 G HA3 0.604 4.566 3.960 0.003 0.000 0.297 157 G C -1.507 173.415 174.900 0.037 0.000 1.422 157 G CA -0.686 44.447 45.100 0.055 0.000 0.942 157 G HN 0.063 nan 8.290 nan 0.000 0.510 158 I N 1.723 122.320 120.570 0.045 0.000 2.315 158 I HA 0.170 4.342 4.170 0.003 0.000 0.291 158 I C -0.444 175.712 176.117 0.064 0.000 1.006 158 I CA -0.634 60.695 61.300 0.048 0.000 1.265 158 I CB 1.750 39.780 38.000 0.051 0.000 1.387 158 I HN 0.344 nan 8.210 nan 0.000 0.475 159 D N 7.474 127.906 120.400 0.054 0.000 2.359 159 D HA 0.095 4.737 4.640 0.003 0.000 0.250 159 D C 0.987 177.319 176.300 0.053 0.000 1.264 159 D CA 0.105 54.138 54.000 0.055 0.000 0.911 159 D CB 0.946 41.772 40.800 0.044 0.000 1.056 159 D HN 0.493 nan 8.370 nan 0.000 0.499 160 L N 2.571 123.833 121.223 0.065 0.000 2.109 160 L HA -0.150 4.191 4.340 0.003 0.000 0.207 160 L C 2.462 179.351 176.870 0.031 0.000 1.086 160 L CA 1.181 56.053 54.840 0.053 0.000 0.760 160 L CB -0.566 41.530 42.059 0.062 0.000 0.910 160 L HN 0.419 nan 8.230 nan 0.000 0.437 161 T N -2.480 112.091 114.554 0.028 0.000 2.962 161 T HA -0.194 4.157 4.350 0.003 0.000 0.270 161 T C 1.916 176.626 174.700 0.017 0.000 1.088 161 T CA 0.829 62.939 62.100 0.017 0.000 1.127 161 T CB -0.173 68.706 68.868 0.017 0.000 0.883 161 T HN 0.280 nan 8.240 nan 0.000 0.493 162 R N 0.590 121.103 120.500 0.022 0.000 2.066 162 R HA 0.252 4.593 4.340 0.003 0.000 0.224 162 R C 2.409 178.719 176.300 0.017 0.000 1.122 162 R CA 0.455 56.566 56.100 0.019 0.000 0.974 162 R CB -0.337 29.977 30.300 0.023 0.000 0.871 162 R HN 0.339 nan 8.270 nan 0.000 0.435 163 L N 0.516 121.753 121.223 0.022 0.000 2.079 163 L HA -0.149 4.193 4.340 0.003 0.000 0.210 163 L C 2.602 179.481 176.870 0.015 0.000 1.081 163 L CA 1.338 56.190 54.840 0.020 0.000 0.752 163 L CB -0.482 41.594 42.059 0.028 0.000 0.896 163 L HN 0.346 nan 8.230 nan 0.000 0.433 164 A N -0.116 122.712 122.820 0.014 0.000 1.898 164 A HA -0.111 4.210 4.320 0.003 0.000 0.216 164 A C 2.558 180.145 177.584 0.006 0.000 1.181 164 A CA 1.474 53.516 52.037 0.008 0.000 0.620 164 A CB -0.638 18.365 19.000 0.005 0.000 0.819 164 A HN 0.381 nan 8.150 nan 0.000 0.442 165 A N 1.025 123.849 122.820 0.006 0.000 1.883 165 A HA -0.225 4.096 4.320 0.003 0.000 0.217 165 A C 1.914 179.500 177.584 0.003 0.000 1.186 165 A CA 1.822 53.861 52.037 0.003 0.000 0.624 165 A CB -0.704 18.298 19.000 0.003 0.000 0.822 165 A HN 0.780 nan 8.150 nan 0.000 0.444 166 E N -1.358 118.844 120.200 0.004 0.000 2.481 166 E HA 0.308 4.660 4.350 0.003 0.000 0.195 166 E C 0.938 177.541 176.600 0.006 0.000 1.047 166 E CA 0.393 56.795 56.400 0.004 0.000 0.867 166 E CB -0.459 29.243 29.700 0.003 0.000 0.858 166 E HN 0.940 nan 8.360 nan 0.000 0.513 167 G N 2.083 110.887 108.800 0.006 0.000 2.248 167 G HA2 -0.295 3.666 3.960 0.003 0.000 0.263 167 G HA3 -0.295 3.666 3.960 0.003 0.000 0.263 167 G C 0.593 175.499 174.900 0.010 0.000 1.082 167 G CA 0.568 45.672 45.100 0.008 0.000 0.863 167 G HN 0.247 nan 8.290 nan 0.000 0.495 168 K N -0.538 119.869 120.400 0.010 0.000 2.244 168 K HA 0.366 4.688 4.320 0.003 0.000 0.200 168 K C 1.548 178.157 176.600 0.014 0.000 1.052 168 K CA 0.202 56.495 56.287 0.010 0.000 0.980 168 K CB -0.035 32.471 32.500 0.010 0.000 0.838 168 K HN 0.495 nan 8.250 nan 0.000 0.481 169 L N 2.543 123.776 121.223 0.017 0.000 2.485 169 L HA 0.035 4.376 4.340 0.003 0.000 0.275 169 L C 0.136 177.019 176.870 0.023 0.000 1.207 169 L CA -0.147 54.705 54.840 0.021 0.000 0.855 169 L CB 0.311 42.381 42.059 0.019 0.000 1.114 169 L HN 0.234 nan 8.230 nan 0.000 0.485 170 D N 3.264 123.683 120.400 0.031 0.000 2.357 170 D HA 0.165 4.806 4.640 0.003 0.000 0.242 170 D C -2.155 174.167 176.300 0.037 0.000 1.153 170 D CA -0.995 53.030 54.000 0.043 0.000 0.918 170 D CB 0.683 41.524 40.800 0.068 0.000 1.181 170 D HN 0.275 nan 8.370 nan 0.000 0.435 171 P HA 0.002 nan 4.420 nan 0.000 0.264 171 P C -0.235 177.079 177.300 0.023 0.000 1.236 171 P CA -0.218 62.898 63.100 0.027 0.000 0.811 171 P CB 0.304 32.022 31.700 0.030 0.000 0.840 172 V N 3.606 123.526 119.914 0.011 0.000 2.583 172 V HA 0.596 4.718 4.120 0.003 0.000 0.287 172 V C 0.074 176.168 176.094 -0.001 0.000 1.051 172 V CA -0.519 61.784 62.300 0.004 0.000 1.010 172 V CB 0.743 32.561 31.823 -0.008 0.000 0.988 172 V HN 0.500 nan 8.190 nan 0.000 0.478 173 I N 1.644 122.212 120.570 -0.002 0.000 2.802 173 I HA 0.855 5.027 4.170 0.003 0.000 0.298 173 I C 0.489 176.600 176.117 -0.009 0.000 1.176 173 I CA -0.212 61.084 61.300 -0.006 0.000 1.025 173 I CB 2.129 40.127 38.000 -0.003 0.000 1.243 173 I HN 1.357 nan 8.210 nan 0.000 0.424 174 G N 4.196 112.989 108.800 -0.010 0.000 2.160 174 G HA2 -0.255 3.707 3.960 0.003 0.000 0.244 174 G HA3 -0.255 3.707 3.960 0.003 0.000 0.244 174 G C 0.207 175.099 174.900 -0.012 0.000 1.022 174 G CA 0.284 45.377 45.100 -0.011 0.000 0.741 174 G HN 0.802 nan 8.290 nan 0.000 0.508 175 R N -0.619 119.873 120.500 -0.014 0.000 2.718 175 R HA 0.263 4.605 4.340 0.003 0.000 0.307 175 R C 0.843 177.132 176.300 -0.017 0.000 1.244 175 R CA -0.202 55.889 56.100 -0.015 0.000 1.348 175 R CB 0.201 30.490 30.300 -0.019 0.000 1.304 175 R HN 0.245 nan 8.270 nan 0.000 0.663 176 D N 1.301 121.693 120.400 -0.013 0.000 2.092 176 D HA -0.216 4.425 4.640 0.003 0.000 0.193 176 D C 1.600 177.892 176.300 -0.012 0.000 0.994 176 D CA 1.445 55.437 54.000 -0.013 0.000 0.828 176 D CB 0.437 41.231 40.800 -0.009 0.000 0.963 176 D HN 0.358 nan 8.370 nan 0.000 0.450 177 E N 0.094 120.289 120.200 -0.008 0.000 1.995 177 E HA -0.283 4.068 4.350 0.003 0.000 0.207 177 E C 1.919 178.512 176.600 -0.010 0.000 1.016 177 E CA 1.572 57.969 56.400 -0.005 0.000 0.865 177 E CB -0.010 29.690 29.700 0.001 0.000 0.797 177 E HN 0.156 nan 8.360 nan 0.000 0.491 178 E N 0.742 120.935 120.200 -0.012 0.000 2.149 178 E HA -0.260 4.092 4.350 0.003 0.000 0.215 178 E C 2.076 178.654 176.600 -0.036 0.000 1.055 178 E CA 2.089 58.475 56.400 -0.023 0.000 0.870 178 E CB -0.448 29.236 29.700 -0.027 0.000 0.764 178 E HN 0.411 nan 8.360 nan 0.000 0.463 179 I N 0.049 120.597 120.570 -0.037 0.000 2.076 179 I HA -0.338 3.833 4.170 0.003 0.000 0.237 179 I C 2.690 178.786 176.117 -0.034 0.000 1.059 179 I CA 1.552 62.826 61.300 -0.043 0.000 1.317 179 I CB -0.336 37.641 38.000 -0.038 0.000 1.037 179 I HN 0.069 nan 8.210 nan 0.000 0.398 180 R N 0.582 121.068 120.500 -0.023 0.000 2.103 180 R HA -0.278 4.063 4.340 0.003 0.000 0.242 180 R C 2.447 178.739 176.300 -0.014 0.000 1.142 180 R CA 2.013 58.103 56.100 -0.016 0.000 0.960 180 R CB -0.224 30.070 30.300 -0.010 0.000 0.858 180 R HN 0.163 nan 8.270 nan 0.000 0.439 181 R N 0.150 120.642 120.500 -0.015 0.000 2.083 181 R HA -0.107 4.235 4.340 0.003 0.000 0.237 181 R C 1.933 178.221 176.300 -0.019 0.000 1.137 181 R CA 2.037 58.130 56.100 -0.012 0.000 0.951 181 R CB -0.837 29.457 30.300 -0.011 0.000 0.851 181 R HN 0.115 nan 8.270 nan 0.000 0.434 182 V N 1.061 120.955 119.914 -0.034 0.000 2.343 182 V HA -0.239 3.883 4.120 0.003 0.000 0.247 182 V C 2.380 178.457 176.094 -0.028 0.000 1.051 182 V CA 1.750 64.025 62.300 -0.042 0.000 1.036 182 V CB -0.522 31.260 31.823 -0.068 0.000 0.654 182 V HN 0.295 nan 8.190 nan 0.000 0.451 183 I N 0.045 120.599 120.570 -0.026 0.000 2.194 183 I HA -0.332 3.840 4.170 0.003 0.000 0.246 183 I C 2.495 178.608 176.117 -0.007 0.000 1.093 183 I CA 2.022 63.312 61.300 -0.017 0.000 1.355 183 I CB -1.156 36.835 38.000 -0.015 0.000 1.046 183 I HN 0.529 nan 8.210 nan 0.000 0.413 184 Q N 1.324 121.121 119.800 -0.005 0.000 1.917 184 Q HA -0.209 4.133 4.340 0.003 0.000 0.205 184 Q C 2.396 178.401 176.000 0.007 0.000 0.988 184 Q CA 2.112 57.916 55.803 0.002 0.000 0.851 184 Q CB -0.200 28.540 28.738 0.004 0.000 0.916 184 Q HN 0.450 nan 8.270 nan 0.000 0.424 185 I N 1.140 121.714 120.570 0.008 0.000 2.367 185 I HA -0.307 3.864 4.170 0.003 0.000 0.256 185 I C 1.844 177.975 176.117 0.023 0.000 1.132 185 I CA 0.951 62.261 61.300 0.018 0.000 1.397 185 I CB -0.434 37.575 38.000 0.014 0.000 1.074 185 I HN 0.342 nan 8.210 nan 0.000 0.435 186 L N 0.760 121.991 121.223 0.013 0.000 2.693 186 L HA 0.030 4.372 4.340 0.003 0.000 0.242 186 L C 1.275 178.155 176.870 0.017 0.000 1.157 186 L CA 0.368 55.219 54.840 0.018 0.000 0.929 186 L CB -0.085 41.978 42.059 0.006 0.000 1.103 186 L HN 0.368 nan 8.230 nan 0.000 0.430 187 L N -1.662 119.571 121.223 0.017 0.000 3.500 187 L HA 0.190 4.532 4.340 0.003 0.000 0.320 187 L C 0.828 177.708 176.870 0.017 0.000 1.205 187 L CA -0.281 54.568 54.840 0.015 0.000 1.117 187 L CB 0.482 42.547 42.059 0.010 0.000 1.542 187 L HN 0.099 nan 8.230 nan 0.000 0.622 188 R N 1.367 121.880 120.500 0.021 0.000 2.267 188 R HA 0.184 4.525 4.340 0.003 0.000 0.319 188 R C 1.063 177.376 176.300 0.023 0.000 1.067 188 R CA -0.378 55.735 56.100 0.022 0.000 0.936 188 R CB 0.754 31.070 30.300 0.027 0.000 1.006 188 R HN 0.028 nan 8.270 nan 0.000 0.452 189 R N 2.424 122.935 120.500 0.017 0.000 2.080 189 R HA -0.111 4.230 4.340 0.003 0.000 0.236 189 R C 1.583 177.891 176.300 0.014 0.000 1.137 189 R CA 2.143 58.251 56.100 0.014 0.000 0.943 189 R CB -1.125 29.181 30.300 0.010 0.000 0.846 189 R HN 0.673 nan 8.270 nan 0.000 0.431 190 T N 1.935 116.498 114.554 0.014 0.000 2.555 190 T HA -0.141 4.211 4.350 0.003 0.000 0.264 190 T C 0.616 175.324 174.700 0.014 0.000 1.083 190 T CA 1.535 63.641 62.100 0.011 0.000 1.179 190 T CB -0.087 68.790 68.868 0.014 0.000 0.863 190 T HN 0.246 nan 8.240 nan 0.000 0.412 191 K N 2.225 122.643 120.400 0.030 0.000 2.527 191 K HA 0.310 4.632 4.320 0.003 0.000 0.240 191 K C -0.277 176.363 176.600 0.067 0.000 0.989 191 K CA -0.319 55.998 56.287 0.051 0.000 0.985 191 K CB 0.855 33.397 32.500 0.071 0.000 1.221 191 K HN 0.311 nan 8.250 nan 0.000 0.458 192 N N 0.067 118.809 118.700 0.070 0.000 2.205 192 N HA -0.019 4.723 4.740 0.003 0.000 0.201 192 N C -0.411 175.160 175.510 0.101 0.000 1.128 192 N CA -0.381 52.711 53.050 0.069 0.000 0.867 192 N CB 0.361 38.878 38.487 0.049 0.000 0.996 192 N HN 0.218 nan 8.380 nan 0.000 0.503 193 N N 2.715 121.518 118.700 0.172 0.000 2.645 193 N HA 0.216 4.957 4.740 0.003 0.000 0.233 193 N C -2.688 172.955 175.510 0.221 0.000 1.058 193 N CA -1.055 52.143 53.050 0.247 0.000 0.942 193 N CB 1.179 39.937 38.487 0.453 0.000 1.210 193 N HN 0.322 nan 8.380 nan 0.000 0.512 194 P HA 0.060 nan 4.420 nan 0.000 0.281 194 P C -0.260 176.967 177.300 -0.121 0.000 1.252 194 P CA -0.268 62.821 63.100 -0.018 0.000 0.778 194 P CB 1.682 33.362 31.700 -0.033 0.000 0.895 195 V N 5.681 125.454 119.914 -0.236 0.000 2.459 195 V HA 0.341 4.463 4.120 0.003 0.000 0.295 195 V C -0.457 175.429 176.094 -0.347 0.000 1.029 195 V CA -1.103 60.994 62.300 -0.338 0.000 0.874 195 V CB 1.058 32.567 31.823 -0.524 0.000 0.985 195 V HN 0.326 nan 8.190 nan 0.000 0.438 196 L N 7.456 128.539 121.223 -0.233 0.000 2.278 196 L HA 0.472 4.813 4.340 0.003 0.000 0.287 196 L C -0.730 175.994 176.870 -0.244 0.000 1.072 196 L CA -0.303 54.409 54.840 -0.214 0.000 0.819 196 L CB 1.173 43.169 42.059 -0.106 0.000 1.176 196 L HN 0.528 nan 8.230 nan 0.000 0.435 197 I N 3.142 123.511 120.570 -0.336 0.000 2.339 197 I HA 0.745 4.917 4.170 0.003 0.000 0.290 197 I C 0.589 176.662 176.117 -0.074 0.000 0.994 197 I CA 0.011 61.153 61.300 -0.263 0.000 1.191 197 I CB 1.640 39.368 38.000 -0.453 0.000 1.343 197 I HN 0.600 nan 8.210 nan 0.000 0.458 198 G N 3.632 112.427 108.800 -0.008 0.000 2.523 198 G HA2 0.491 4.453 3.960 0.003 0.000 0.291 198 G HA3 0.491 4.453 3.960 0.003 0.000 0.291 198 G C -1.534 173.393 174.900 0.045 0.000 1.450 198 G CA -0.658 44.465 45.100 0.039 0.000 0.790 198 G HN 0.390 nan 8.290 nan 0.000 0.496 199 E N -0.077 120.154 120.200 0.053 0.000 2.392 199 E HA 0.514 4.866 4.350 0.003 0.000 0.259 199 E C -2.169 174.456 176.600 0.043 0.000 1.108 199 E CA -1.252 55.178 56.400 0.050 0.000 0.916 199 E CB 0.745 30.476 29.700 0.052 0.000 0.989 199 E HN 0.163 nan 8.360 nan 0.000 0.432 200 P HA 0.160 nan 4.420 nan 0.000 0.271 200 P C 0.010 177.335 177.300 0.041 0.000 1.226 200 P CA 0.942 64.064 63.100 0.038 0.000 0.765 200 P CB 0.851 32.570 31.700 0.032 0.000 0.835 201 G N 1.726 110.552 108.800 0.044 0.000 2.213 201 G HA2 -0.281 3.681 3.960 0.003 0.000 0.236 201 G HA3 -0.281 3.681 3.960 0.003 0.000 0.236 201 G C 0.951 175.878 174.900 0.044 0.000 0.991 201 G CA 0.138 45.266 45.100 0.047 0.000 0.629 201 G HN 0.393 nan 8.290 nan 0.000 0.517 202 V N 0.605 120.543 119.914 0.041 0.000 2.759 202 V HA 0.356 4.478 4.120 0.003 0.000 0.256 202 V C 2.192 178.302 176.094 0.027 0.000 1.080 202 V CA 2.368 64.689 62.300 0.034 0.000 1.101 202 V CB -0.499 31.345 31.823 0.035 0.000 0.698 202 V HN 2.146 nan 8.190 nan 0.000 0.477 203 G N -0.157 108.661 108.800 0.030 0.000 2.237 203 G HA2 -0.182 3.779 3.960 0.003 0.000 0.153 203 G HA3 -0.182 3.779 3.960 0.003 0.000 0.153 203 G C 0.533 175.441 174.900 0.014 0.000 1.039 203 G CA 0.301 45.415 45.100 0.024 0.000 0.719 203 G HN 0.386 nan 8.290 nan 0.000 0.491 204 K N -0.449 119.965 120.400 0.024 0.000 1.984 204 K HA -0.056 4.265 4.320 0.003 0.000 0.209 204 K C 2.638 179.242 176.600 0.007 0.000 1.046 204 K CA 1.912 58.208 56.287 0.014 0.000 0.934 204 K CB -0.313 32.211 32.500 0.040 0.000 0.717 204 K HN 0.298 nan 8.250 nan 0.000 0.438 205 T N 1.400 115.997 114.554 0.073 0.000 2.737 205 T HA -0.216 4.136 4.350 0.003 0.000 0.269 205 T C 1.965 176.655 174.700 -0.018 0.000 1.040 205 T CA 1.461 63.614 62.100 0.088 0.000 1.142 205 T CB -0.373 68.598 68.868 0.171 0.000 0.861 205 T HN 0.361 nan 8.240 nan 0.000 0.456 206 A N 1.739 124.559 122.820 -0.001 0.000 1.917 206 A HA -0.112 4.209 4.320 0.003 0.000 0.219 206 A C 2.251 179.802 177.584 -0.056 0.000 1.182 206 A CA 1.291 53.319 52.037 -0.014 0.000 0.633 206 A CB -0.737 18.264 19.000 0.002 0.000 0.819 206 A HN 0.408 nan 8.150 nan 0.000 0.448 207 I N -0.122 120.403 120.570 -0.074 0.000 2.118 207 I HA -0.233 3.938 4.170 0.003 0.000 0.241 207 I C 2.560 178.582 176.117 -0.158 0.000 1.070 207 I CA 1.520 62.760 61.300 -0.100 0.000 1.327 207 I CB -1.439 36.499 38.000 -0.104 0.000 1.034 207 I HN 0.177 nan 8.210 nan 0.000 0.405 208 V N 1.904 121.658 119.914 -0.268 0.000 2.237 208 V HA -0.271 3.851 4.120 0.003 0.000 0.245 208 V C 2.554 178.503 176.094 -0.241 0.000 1.046 208 V CA 2.245 64.302 62.300 -0.406 0.000 1.007 208 V CB -1.025 30.226 31.823 -0.953 0.000 0.638 208 V HN 0.555 nan 8.190 nan 0.000 0.445 209 E N 0.930 121.032 120.200 -0.163 0.000 2.204 209 E HA -0.136 4.216 4.350 0.003 0.000 0.195 209 E C 2.211 178.778 176.600 -0.055 0.000 0.990 209 E CA 1.418 57.776 56.400 -0.070 0.000 0.821 209 E CB -0.639 29.052 29.700 -0.015 0.000 0.750 209 E HN 0.550 nan 8.360 nan 0.000 0.477 210 G N 2.127 110.889 108.800 -0.065 0.000 2.404 210 G HA2 -0.242 3.720 3.960 0.003 0.000 0.215 210 G HA3 -0.242 3.720 3.960 0.003 0.000 0.215 210 G C 1.569 176.438 174.900 -0.050 0.000 1.174 210 G CA 0.863 45.935 45.100 -0.046 0.000 0.780 210 G HN 0.285 nan 8.290 nan 0.000 0.537 211 L N 1.635 122.814 121.223 -0.074 0.000 2.079 211 L HA 0.135 4.477 4.340 0.003 0.000 0.210 211 L C 2.929 179.768 176.870 -0.052 0.000 1.081 211 L CA 2.090 56.890 54.840 -0.067 0.000 0.752 211 L CB -0.973 41.029 42.059 -0.095 0.000 0.896 211 L HN 0.238 nan 8.230 nan 0.000 0.433 212 A N -0.638 122.148 122.820 -0.056 0.000 1.873 212 A HA -0.305 4.016 4.320 0.003 0.000 0.218 212 A C 2.186 179.758 177.584 -0.019 0.000 1.193 212 A CA 2.134 54.152 52.037 -0.033 0.000 0.629 212 A CB -0.742 18.243 19.000 -0.026 0.000 0.826 212 A HN 0.699 nan 8.150 nan 0.000 0.447 213 Q N -0.829 118.960 119.800 -0.019 0.000 2.096 213 Q HA -0.206 4.135 4.340 0.003 0.000 0.204 213 Q C 2.389 178.381 176.000 -0.013 0.000 0.982 213 Q CA 1.610 57.406 55.803 -0.012 0.000 0.850 213 Q CB -0.254 28.478 28.738 -0.011 0.000 0.901 213 Q HN 0.625 nan 8.270 nan 0.000 0.422 214 R N 0.395 120.884 120.500 -0.018 0.000 2.083 214 R HA -0.128 4.213 4.340 0.003 0.000 0.237 214 R C 2.351 178.644 176.300 -0.011 0.000 1.137 214 R CA 1.322 57.413 56.100 -0.016 0.000 0.951 214 R CB -0.460 29.828 30.300 -0.019 0.000 0.851 214 R HN 0.301 nan 8.270 nan 0.000 0.434 215 I N 0.534 121.097 120.570 -0.012 0.000 2.151 215 I HA -0.291 3.881 4.170 0.003 0.000 0.243 215 I C 2.240 178.357 176.117 -0.000 0.000 1.080 215 I CA 1.381 62.678 61.300 -0.006 0.000 1.339 215 I CB -0.362 37.634 38.000 -0.006 0.000 1.039 215 I HN 0.001 nan 8.210 nan 0.000 0.409 216 V N 0.609 120.522 119.914 -0.002 0.000 2.720 216 V HA -0.232 3.890 4.120 0.003 0.000 0.256 216 V C 2.032 178.126 176.094 -0.000 0.000 1.082 216 V CA 1.658 63.959 62.300 0.001 0.000 1.101 216 V CB -0.704 31.119 31.823 -0.000 0.000 0.693 216 V HN 0.415 nan 8.190 nan 0.000 0.479 217 K N -0.434 119.962 120.400 -0.006 0.000 2.367 217 K HA 0.297 4.619 4.320 0.003 0.000 0.194 217 K C 1.486 178.082 176.600 -0.006 0.000 1.027 217 K CA 0.606 56.884 56.287 -0.014 0.000 1.075 217 K CB 0.592 33.080 32.500 -0.021 0.000 0.845 217 K HN 0.489 nan 8.250 nan 0.000 0.529 218 G N 2.269 111.072 108.800 0.005 0.000 2.148 218 G HA2 -0.299 3.663 3.960 0.003 0.000 0.254 218 G HA3 -0.299 3.663 3.960 0.003 0.000 0.254 218 G C 0.555 175.459 174.900 0.006 0.000 0.981 218 G CA 0.652 45.760 45.100 0.014 0.000 0.670 218 G HN 0.449 nan 8.290 nan 0.000 0.528 219 D N -0.257 120.141 120.400 -0.002 0.000 2.312 219 D HA 0.013 4.655 4.640 0.003 0.000 0.211 219 D C 1.330 177.627 176.300 -0.005 0.000 0.964 219 D CA 1.011 55.008 54.000 -0.005 0.000 0.877 219 D CB 0.169 40.963 40.800 -0.011 0.000 0.924 219 D HN 0.464 nan 8.370 nan 0.000 0.515 220 V N 1.091 121.002 119.914 -0.004 0.000 2.644 220 V HA 0.267 4.389 4.120 0.003 0.000 0.295 220 V C -1.860 174.234 176.094 -0.000 0.000 1.053 220 V CA -1.590 60.707 62.300 -0.005 0.000 0.987 220 V CB 1.553 33.371 31.823 -0.007 0.000 1.006 220 V HN -0.065 nan 8.190 nan 0.000 0.472 221 P HA 0.081 nan 4.420 nan 0.000 0.286 221 P C -0.594 176.707 177.300 0.003 0.000 1.278 221 P CA -0.131 62.970 63.100 0.002 0.000 0.785 221 P CB 0.252 31.952 31.700 0.001 0.000 1.269 222 E N -0.748 119.454 120.200 0.003 0.000 2.349 222 E HA 0.360 4.711 4.350 0.003 0.000 0.265 222 E C 1.203 177.804 176.600 0.002 0.000 1.064 222 E CA 0.573 56.975 56.400 0.002 0.000 0.886 222 E CB 0.403 30.104 29.700 0.002 0.000 1.036 222 E HN 0.744 nan 8.360 nan 0.000 0.413 223 G N 1.254 110.055 108.800 0.001 0.000 2.217 223 G HA2 -0.257 3.704 3.960 0.003 0.000 0.246 223 G HA3 -0.257 3.704 3.960 0.003 0.000 0.246 223 G C 0.662 175.564 174.900 0.003 0.000 0.990 223 G CA 0.368 45.469 45.100 0.002 0.000 0.627 223 G HN 0.441 nan 8.290 nan 0.000 0.522 224 L N -0.146 121.078 121.223 0.002 0.000 3.128 224 L HA 0.169 4.510 4.340 0.003 0.000 0.277 224 L C 2.387 179.258 176.870 0.002 0.000 1.171 224 L CA 0.701 55.542 54.840 0.002 0.000 1.008 224 L CB 0.220 42.278 42.059 -0.001 0.000 1.442 224 L HN 0.173 nan 8.230 nan 0.000 0.584 225 K N 1.269 121.671 120.400 0.002 0.000 2.107 225 K HA -0.162 4.160 4.320 0.003 0.000 0.211 225 K C 1.595 178.198 176.600 0.005 0.000 1.049 225 K CA 2.051 58.341 56.287 0.005 0.000 0.927 225 K CB -1.348 31.155 32.500 0.005 0.000 0.714 225 K HN 0.228 nan 8.250 nan 0.000 0.452 226 G N -0.495 108.306 108.800 0.002 0.000 3.062 226 G HA2 0.064 4.025 3.960 0.003 0.000 0.228 226 G HA3 0.064 4.025 3.960 0.003 0.000 0.228 226 G C -0.226 174.676 174.900 0.004 0.000 1.094 226 G CA -0.544 44.557 45.100 0.002 0.000 0.782 226 G HN 0.070 nan 8.290 nan 0.000 0.541 227 K N 0.513 120.916 120.400 0.006 0.000 2.457 227 K HA 0.191 4.513 4.320 0.003 0.000 0.269 227 K C 0.410 177.018 176.600 0.013 0.000 0.969 227 K CA 0.259 56.553 56.287 0.010 0.000 0.921 227 K CB 0.322 32.828 32.500 0.010 0.000 0.940 227 K HN 0.255 nan 8.250 nan 0.000 0.517 228 R N 2.036 122.548 120.500 0.021 0.000 2.502 228 R HA 0.365 4.707 4.340 0.003 0.000 0.300 228 R C -0.993 175.329 176.300 0.036 0.000 0.984 228 R CA -0.414 55.702 56.100 0.026 0.000 0.882 228 R CB 0.696 31.014 30.300 0.030 0.000 1.180 228 R HN 0.561 nan 8.270 nan 0.000 0.444 229 I N 4.955 125.546 120.570 0.036 0.000 2.315 229 I HA 0.278 4.450 4.170 0.003 0.000 0.291 229 I C -0.432 175.734 176.117 0.082 0.000 1.006 229 I CA -0.936 60.397 61.300 0.054 0.000 1.265 229 I CB 1.809 39.825 38.000 0.028 0.000 1.387 229 I HN 0.247 nan 8.210 nan 0.000 0.475 230 V N 5.119 125.097 119.914 0.106 0.000 2.409 230 V HA 0.237 4.358 4.120 0.003 0.000 0.291 230 V C 0.144 176.327 176.094 0.148 0.000 1.020 230 V CA -0.518 61.847 62.300 0.109 0.000 0.848 230 V CB 1.753 33.626 31.823 0.082 0.000 0.990 230 V HN 0.775 nan 8.190 nan 0.000 0.430 231 S N 5.703 121.495 115.700 0.152 0.000 2.430 231 S HA 0.504 4.976 4.470 0.003 0.000 0.289 231 S C -0.494 174.116 174.600 0.017 0.000 1.143 231 S CA -0.467 57.806 58.200 0.122 0.000 1.067 231 S CB 0.317 63.630 63.200 0.188 0.000 0.964 231 S HN 0.667 nan 8.310 nan 0.000 0.485 232 L N 5.411 126.608 121.223 -0.044 0.000 2.331 232 L HA 0.437 4.779 4.340 0.003 0.000 0.278 232 L C -0.484 176.352 176.870 -0.056 0.000 1.106 232 L CA -0.159 54.665 54.840 -0.026 0.000 0.824 232 L CB 0.571 42.615 42.059 -0.026 0.000 1.142 232 L HN 0.604 nan 8.230 nan 0.000 0.443 233 Q N 7.284 127.082 119.800 -0.003 0.000 2.523 233 Q HA 0.287 4.628 4.340 0.003 0.000 0.251 233 Q C -0.343 175.680 176.000 0.038 0.000 1.033 233 Q CA -0.295 55.508 55.803 -0.001 0.000 0.746 233 Q CB 1.597 30.339 28.738 0.006 0.000 1.189 233 Q HN 0.759 nan 8.270 nan 0.000 0.508 247 F N 3.018 122.939 119.950 -0.048 0.000 2.063 247 F HA -0.169 4.358 4.527 0.001 0.000 0.298 247 F C 1.863 177.607 175.800 -0.093 0.000 1.109 247 F CA 2.562 60.521 58.000 -0.067 0.000 1.212 247 F CB 0.024 38.994 39.000 -0.050 0.000 0.973 247 F HN 0.029 nan 8.300 nan 0.000 0.480 248 E N -0.305 120.071 120.200 0.294 0.000 2.333 248 E HA -0.248 4.103 4.350 0.003 0.000 0.198 248 E C 2.090 178.678 176.600 -0.021 0.000 1.007 248 E CA 0.934 57.424 56.400 0.150 0.000 0.845 248 E CB -0.317 29.462 29.700 0.131 0.000 0.766 248 E HN 0.642 nan 8.360 nan 0.000 0.507 249 E N 1.499 121.671 120.200 -0.047 0.000 2.058 249 E HA -0.248 4.104 4.350 0.003 0.000 0.194 249 E C 2.176 178.687 176.600 -0.150 0.000 0.997 249 E CA 1.529 57.882 56.400 -0.079 0.000 0.801 249 E CB 0.070 29.733 29.700 -0.063 0.000 0.746 249 E HN 0.255 nan 8.360 nan 0.000 0.450 250 R N 0.252 120.594 120.500 -0.264 0.000 2.093 250 R HA -0.073 4.268 4.340 0.003 0.000 0.224 250 R C 2.561 178.603 176.300 -0.431 0.000 1.101 250 R CA 0.964 56.814 56.100 -0.416 0.000 0.979 250 R CB -0.746 29.118 30.300 -0.727 0.000 0.877 250 R HN 0.175 nan 8.270 nan 0.000 0.441 251 L N 1.764 122.749 121.223 -0.396 0.000 2.013 251 L HA -0.140 4.201 4.340 0.003 0.000 0.212 251 L C 2.233 179.020 176.870 -0.138 0.000 1.073 251 L CA 1.924 56.607 54.840 -0.262 0.000 0.753 251 L CB -0.446 41.548 42.059 -0.109 0.000 0.890 251 L HN 0.033 nan 8.230 nan 0.000 0.432 252 K N -0.113 120.228 120.400 -0.099 0.000 2.057 252 K HA -0.030 4.292 4.320 0.003 0.000 0.207 252 K C 2.079 178.640 176.600 -0.066 0.000 1.049 252 K CA 1.330 57.582 56.287 -0.058 0.000 0.931 252 K CB -0.604 31.870 32.500 -0.042 0.000 0.714 252 K HN 0.505 nan 8.250 nan 0.000 0.440 253 A N 0.546 123.307 122.820 -0.097 0.000 2.024 253 A HA -0.125 4.197 4.320 0.003 0.000 0.220 253 A C 2.357 179.911 177.584 -0.050 0.000 1.164 253 A CA 1.686 53.676 52.037 -0.078 0.000 0.643 253 A CB -0.376 18.568 19.000 -0.093 0.000 0.806 253 A HN 0.103 nan 8.150 nan 0.000 0.451 254 V N -0.296 119.575 119.914 -0.073 0.000 2.300 254 V HA -0.146 3.976 4.120 0.003 0.000 0.241 254 V C 2.316 178.407 176.094 -0.006 0.000 1.034 254 V CA 1.416 63.700 62.300 -0.028 0.000 1.021 254 V CB -0.698 31.091 31.823 -0.056 0.000 0.662 254 V HN 0.653 nan 8.190 nan 0.000 0.458 255 I N 1.050 121.611 120.570 -0.014 0.000 2.194 255 I HA -0.363 3.809 4.170 0.003 0.000 0.246 255 I C 2.690 178.814 176.117 0.011 0.000 1.093 255 I CA 2.335 63.639 61.300 0.007 0.000 1.355 255 I CB -0.182 37.823 38.000 0.009 0.000 1.046 255 I HN 0.591 nan 8.210 nan 0.000 0.413 256 Q N 0.038 119.839 119.800 0.001 0.000 2.436 256 Q HA -0.230 4.111 4.340 0.003 0.000 0.209 256 Q C 1.842 177.851 176.000 0.015 0.000 0.965 256 Q CA 1.469 57.275 55.803 0.005 0.000 0.910 256 Q CB -0.297 28.438 28.738 -0.006 0.000 0.980 256 Q HN 0.655 nan 8.270 nan 0.000 0.491 257 E N 0.377 120.587 120.200 0.017 0.000 2.340 257 E HA -0.037 4.315 4.350 0.003 0.000 0.194 257 E C 1.587 178.210 176.600 0.040 0.000 0.996 257 E CA 0.454 56.873 56.400 0.031 0.000 0.869 257 E CB 0.462 30.183 29.700 0.035 0.000 0.835 257 E HN 0.298 nan 8.360 nan 0.000 0.493 258 V N 0.614 120.550 119.914 0.037 0.000 2.488 258 V HA -0.153 3.968 4.120 0.003 0.000 0.246 258 V C 2.294 178.411 176.094 0.039 0.000 1.046 258 V CA 1.266 63.592 62.300 0.042 0.000 1.053 258 V CB 0.036 31.885 31.823 0.045 0.000 0.679 258 V HN 0.239 nan 8.190 nan 0.000 0.458 259 V N 0.024 119.958 119.914 0.034 0.000 2.515 259 V HA -0.256 3.865 4.120 0.003 0.000 0.250 259 V C 2.314 178.427 176.094 0.032 0.000 1.058 259 V CA 2.045 64.363 62.300 0.031 0.000 1.064 259 V CB -0.304 31.534 31.823 0.026 0.000 0.675 259 V HN 0.626 nan 8.190 nan 0.000 0.461 260 Q N -0.397 119.425 119.800 0.036 0.000 2.369 260 Q HA -0.082 4.259 4.340 0.003 0.000 0.206 260 Q C 2.252 178.279 176.000 0.045 0.000 0.963 260 Q CA 1.421 57.250 55.803 0.043 0.000 0.894 260 Q CB -0.041 28.728 28.738 0.052 0.000 0.965 260 Q HN 0.649 nan 8.270 nan 0.000 0.475 261 S N 0.547 116.272 115.700 0.043 0.000 2.489 261 S HA -0.059 4.412 4.470 0.003 0.000 0.228 261 S C -0.049 174.571 174.600 0.032 0.000 0.995 261 S CA 0.176 58.401 58.200 0.041 0.000 0.934 261 S CB 0.172 63.397 63.200 0.042 0.000 0.771 261 S HN 0.376 nan 8.310 nan 0.000 0.522 262 Q N -0.635 119.183 119.800 0.029 0.000 2.447 262 Q HA -0.152 4.190 4.340 0.003 0.000 0.316 262 Q C 0.728 176.740 176.000 0.020 0.000 1.448 262 Q CA 0.077 55.893 55.803 0.022 0.000 0.804 262 Q CB -2.268 26.481 28.738 0.017 0.000 1.107 262 Q HN 0.617 nan 8.270 nan 0.000 0.373 263 G N 0.419 109.234 108.800 0.025 0.000 2.216 263 G HA2 -0.411 3.551 3.960 0.003 0.000 0.269 263 G HA3 -0.411 3.551 3.960 0.003 0.000 0.269 263 G C 0.530 175.444 174.900 0.024 0.000 0.981 263 G CA 1.099 46.215 45.100 0.025 0.000 0.658 263 G HN 0.536 nan 8.290 nan 0.000 0.539 264 E N -0.486 119.728 120.200 0.023 0.000 2.502 264 E HA 0.339 4.690 4.350 0.003 0.000 0.194 264 E C 0.470 177.085 176.600 0.026 0.000 1.062 264 E CA 0.451 56.863 56.400 0.020 0.000 0.867 264 E CB 0.232 29.942 29.700 0.016 0.000 0.888 264 E HN 0.394 nan 8.360 nan 0.000 0.510 265 V N 2.255 122.189 119.914 0.033 0.000 2.488 265 V HA 0.263 4.385 4.120 0.003 0.000 0.293 265 V C -0.619 175.504 176.094 0.049 0.000 1.027 265 V CA -0.855 61.470 62.300 0.041 0.000 0.862 265 V CB 1.556 33.406 31.823 0.045 0.000 1.008 265 V HN 0.027 nan 8.190 nan 0.000 0.428 266 I N 5.356 125.957 120.570 0.051 0.000 2.371 266 I HA 0.334 4.505 4.170 0.003 0.000 0.290 266 I C -0.085 176.086 176.117 0.091 0.000 1.028 266 I CA -0.378 60.960 61.300 0.063 0.000 1.345 266 I CB 1.358 39.388 38.000 0.049 0.000 1.407 266 I HN 0.429 nan 8.210 nan 0.000 0.501 267 L N 7.969 129.254 121.223 0.104 0.000 2.312 267 L HA 0.449 4.790 4.340 0.003 0.000 0.281 267 L C -0.975 176.013 176.870 0.196 0.000 1.070 267 L CA -0.054 54.860 54.840 0.124 0.000 0.805 267 L CB 1.014 43.128 42.059 0.091 0.000 1.174 267 L HN 0.384 nan 8.230 nan 0.000 0.434 268 F N 6.705 126.667 119.950 0.019 0.000 2.445 268 F HA 0.551 5.080 4.527 0.003 0.000 0.348 268 F C -0.856 174.948 175.800 0.008 0.000 1.125 268 F CA -1.351 56.652 58.000 0.006 0.000 0.983 268 F CB 0.650 39.651 39.000 0.002 0.000 1.198 268 F HN 0.321 nan 8.300 nan 0.000 0.436 269 I N 6.962 127.369 120.570 -0.272 0.000 2.297 269 I HA 0.092 4.264 4.170 0.003 0.000 0.291 269 I C 1.266 177.010 176.117 -0.621 0.000 1.033 269 I CA -0.286 60.782 61.300 -0.387 0.000 1.253 269 I CB 0.904 38.825 38.000 -0.130 0.000 1.396 269 I HN 0.629 nan 8.210 nan 0.000 0.476 270 D N 5.554 125.477 120.400 -0.795 0.000 2.160 270 D HA -0.169 4.473 4.640 0.003 0.000 0.189 270 D C 0.507 176.678 176.300 -0.216 0.000 1.003 270 D CA 1.906 55.562 54.000 -0.574 0.000 0.846 270 D CB 0.558 41.156 40.800 -0.338 0.000 0.949 270 D HN 0.655 nan 8.370 nan 0.000 0.446 292 K N 0.537 120.947 120.400 0.018 0.000 2.076 292 K HA 0.129 4.450 4.320 0.003 0.000 0.204 292 K C -1.049 175.538 176.600 -0.023 0.000 1.051 292 K CA 1.505 57.784 56.287 -0.012 0.000 0.949 292 K CB -0.890 31.599 32.500 -0.019 0.000 0.726 292 K HN 0.303 nan 8.250 nan 0.000 0.443 293 P HA -0.117 nan 4.420 nan 0.000 0.217 293 P C 1.078 178.373 177.300 -0.008 0.000 1.150 293 P CA 1.410 64.503 63.100 -0.012 0.000 0.832 293 P CB 0.035 31.731 31.700 -0.006 0.000 0.787 294 A N -0.430 122.391 122.820 0.002 0.000 1.948 294 A HA -0.192 4.129 4.320 0.003 0.000 0.220 294 A C 2.142 179.729 177.584 0.005 0.000 1.177 294 A CA 1.578 53.620 52.037 0.009 0.000 0.636 294 A CB -1.664 17.349 19.000 0.021 0.000 0.815 294 A HN 0.142 nan 8.150 nan 0.000 0.449 295 L N -1.073 120.147 121.223 -0.006 0.000 2.156 295 L HA -0.036 4.306 4.340 0.003 0.000 0.208 295 L C 2.427 179.275 176.870 -0.036 0.000 1.095 295 L CA 0.670 55.496 54.840 -0.024 0.000 0.770 295 L CB -0.429 41.589 42.059 -0.068 0.000 0.914 295 L HN 0.376 nan 8.230 nan 0.000 0.439 296 A N 0.080 122.878 122.820 -0.036 0.000 2.150 296 A HA 0.026 4.348 4.320 0.003 0.000 0.220 296 A C 1.584 179.157 177.584 -0.019 0.000 1.356 296 A CA 0.634 52.651 52.037 -0.033 0.000 1.145 296 A CB -0.602 18.379 19.000 -0.031 0.000 0.826 296 A HN 0.446 nan 8.150 nan 0.000 0.524 297 R N -2.412 118.079 120.500 -0.014 0.000 2.471 297 R HA 0.153 4.494 4.340 0.003 0.000 0.326 297 R C 1.035 177.334 176.300 -0.002 0.000 0.875 297 R CA 0.394 56.491 56.100 -0.006 0.000 1.102 297 R CB 0.263 30.563 30.300 -0.001 0.000 1.749 297 R HN 0.769 nan 8.270 nan 0.000 0.487 298 G N 2.004 110.802 108.800 -0.004 0.000 2.258 298 G HA2 -0.323 3.638 3.960 0.003 0.000 0.274 298 G HA3 -0.323 3.638 3.960 0.003 0.000 0.274 298 G C 0.372 175.279 174.900 0.012 0.000 1.021 298 G CA 1.150 46.252 45.100 0.003 0.000 0.798 298 G HN 0.487 nan 8.290 nan 0.000 0.507 299 E N -1.624 118.584 120.200 0.014 0.000 2.447 299 E HA 0.238 4.589 4.350 0.003 0.000 0.204 299 E C 0.722 177.339 176.600 0.029 0.000 0.977 299 E CA -0.322 56.089 56.400 0.019 0.000 0.950 299 E CB 0.619 30.329 29.700 0.016 0.000 0.975 299 E HN 0.366 nan 8.360 nan 0.000 0.496 300 L N 2.327 123.571 121.223 0.034 0.000 2.297 300 L HA 0.257 4.598 4.340 0.003 0.000 0.277 300 L C -0.697 176.214 176.870 0.069 0.000 1.040 300 L CA -0.386 54.484 54.840 0.050 0.000 0.867 300 L CB 0.325 42.415 42.059 0.052 0.000 1.244 300 L HN -0.200 nan 8.230 nan 0.000 0.433 301 R N 4.637 125.177 120.500 0.067 0.000 2.288 301 R HA 0.431 4.772 4.340 0.003 0.000 0.330 301 R C -0.883 175.477 176.300 0.101 0.000 1.069 301 R CA -0.489 55.658 56.100 0.079 0.000 0.941 301 R CB 0.611 30.946 30.300 0.060 0.000 0.998 301 R HN 0.497 nan 8.270 nan 0.000 0.452 302 L N 4.231 125.536 121.223 0.136 0.000 2.354 302 L HA 0.573 4.914 4.340 0.003 0.000 0.269 302 L C -1.020 175.929 176.870 0.133 0.000 1.005 302 L CA -0.642 54.288 54.840 0.150 0.000 0.819 302 L CB 1.752 43.926 42.059 0.192 0.000 1.311 302 L HN 0.528 nan 8.230 nan 0.000 0.423 303 I N 4.054 124.712 120.570 0.147 0.000 2.418 303 I HA 0.576 4.747 4.170 0.003 0.000 0.287 303 I C 0.433 176.686 176.117 0.227 0.000 1.008 303 I CA -0.449 60.932 61.300 0.135 0.000 1.104 303 I CB 1.699 39.763 38.000 0.107 0.000 1.264 303 I HN 0.795 nan 8.210 nan 0.000 0.438 304 G N 4.269 113.092 108.800 0.039 0.000 2.753 304 G HA2 0.901 4.862 3.960 0.003 0.000 0.285 304 G HA3 0.901 4.862 3.960 0.003 0.000 0.285 304 G C -1.266 173.690 174.900 0.093 0.000 1.344 304 G CA -0.668 44.435 45.100 0.004 0.000 1.050 304 G HN 0.792 nan 8.290 nan 0.000 0.532 305 A N -1.235 121.594 122.820 0.014 0.000 2.549 305 A HA 0.678 4.999 4.320 0.003 0.000 0.306 305 A C -0.562 177.012 177.584 -0.017 0.000 1.053 305 A CA 0.416 52.470 52.037 0.028 0.000 0.892 305 A CB 1.144 20.257 19.000 0.189 0.000 1.329 305 A HN 1.639 nan 8.150 nan 0.000 0.388 306 T N 0.286 114.820 114.554 -0.034 0.000 2.658 306 T HA 0.681 5.032 4.350 0.003 0.000 0.305 306 T C 0.067 174.775 174.700 0.013 0.000 1.551 306 T CA 0.475 62.573 62.100 -0.003 0.000 0.985 306 T CB 1.008 69.887 68.868 0.017 0.000 1.731 306 T HN 1.059 nan 8.240 nan 0.000 0.486 307 T N 2.048 116.627 114.554 0.042 0.000 2.726 307 T HA 0.294 4.646 4.350 0.003 0.000 0.294 307 T C 1.469 176.228 174.700 0.098 0.000 1.013 307 T CA -0.210 61.927 62.100 0.060 0.000 0.996 307 T CB 0.491 69.394 68.868 0.059 0.000 1.016 307 T HN 0.523 nan 8.240 nan 0.000 0.529 308 L N 1.575 122.867 121.223 0.115 0.000 1.937 308 L HA -0.098 4.244 4.340 0.003 0.000 0.213 308 L C 2.423 179.394 176.870 0.169 0.000 1.077 308 L CA 2.084 57.024 54.840 0.167 0.000 0.758 308 L CB -0.950 41.203 42.059 0.157 0.000 0.888 308 L HN 0.865 nan 8.230 nan 0.000 0.433 309 D N -1.207 119.256 120.400 0.105 0.000 2.178 309 D HA -0.265 4.377 4.640 0.003 0.000 0.201 309 D C 1.667 178.002 176.300 0.058 0.000 0.980 309 D CA 1.520 55.552 54.000 0.053 0.000 0.842 309 D CB -0.578 40.229 40.800 0.012 0.000 0.948 309 D HN 0.624 nan 8.370 nan 0.000 0.472 310 E N -0.759 119.488 120.200 0.077 0.000 2.267 310 E HA -0.196 4.156 4.350 0.003 0.000 0.197 310 E C 1.510 178.174 176.600 0.107 0.000 0.998 310 E CA 0.694 57.135 56.400 0.069 0.000 0.830 310 E CB -0.198 29.540 29.700 0.064 0.000 0.751 310 E HN 0.434 nan 8.360 nan 0.000 0.491 311 Y N 0.737 121.040 120.300 0.005 0.000 2.476 311 Y HA 0.095 4.646 4.550 0.002 0.000 0.283 311 Y C 1.798 177.714 175.900 0.026 0.000 1.109 311 Y CA 0.561 58.663 58.100 0.004 0.000 1.246 311 Y CB 0.281 38.733 38.460 -0.012 0.000 1.068 311 Y HN -0.204 nan 8.280 nan 0.000 0.552 312 R N 0.059 120.555 120.500 -0.006 0.000 2.148 312 R HA -0.082 4.260 4.340 0.003 0.000 0.223 312 R C 1.684 177.920 176.300 -0.106 0.000 1.088 312 R CA 1.217 57.272 56.100 -0.075 0.000 0.985 312 R CB -0.045 30.247 30.300 -0.013 0.000 0.880 312 R HN 0.303 nan 8.270 nan 0.000 0.451 313 E N 0.829 120.986 120.200 -0.072 0.000 2.107 313 E HA -0.078 4.274 4.350 0.003 0.000 0.191 313 E C 1.920 178.473 176.600 -0.079 0.000 0.982 313 E CA 0.899 57.264 56.400 -0.059 0.000 0.809 313 E CB 0.040 29.723 29.700 -0.028 0.000 0.756 313 E HN 0.395 nan 8.360 nan 0.000 0.459 314 I N 1.273 121.774 120.570 -0.116 0.000 3.111 314 I HA -0.094 4.078 4.170 0.003 0.000 0.272 314 I C 1.306 177.299 176.117 -0.206 0.000 1.268 314 I CA 0.461 61.693 61.300 -0.114 0.000 1.467 314 I CB 0.029 37.989 38.000 -0.067 0.000 1.087 314 I HN -0.161 nan 8.210 nan 0.000 0.467 315 E N 1.317 121.340 120.200 -0.294 0.000 2.365 315 E HA -0.000 4.351 4.350 0.003 0.000 0.188 315 E C 1.100 177.624 176.600 -0.127 0.000 1.102 315 E CA 0.280 56.523 56.400 -0.263 0.000 0.927 315 E CB 0.205 29.741 29.700 -0.272 0.000 1.073 315 E HN 0.353 nan 8.360 nan 0.000 0.467 316 K N -0.178 120.164 120.400 -0.097 0.000 2.464 316 K HA 0.061 4.383 4.320 0.003 0.000 0.206 316 K C 0.094 176.666 176.600 -0.047 0.000 1.186 316 K CA 0.009 56.259 56.287 -0.061 0.000 0.990 316 K CB 0.994 33.464 32.500 -0.051 0.000 1.003 316 K HN -0.072 nan 8.250 nan 0.000 0.562 317 D N 1.858 122.229 120.400 -0.049 0.000 2.477 317 D HA 0.218 4.860 4.640 0.003 0.000 0.239 317 D C -2.078 174.194 176.300 -0.047 0.000 1.102 317 D CA -2.384 51.594 54.000 -0.037 0.000 0.901 317 D CB 1.725 42.511 40.800 -0.023 0.000 1.026 317 D HN -0.211 nan 8.370 nan 0.000 0.515 318 P HA -0.209 nan 4.420 nan 0.000 0.218 318 P C 1.152 178.406 177.300 -0.076 0.000 1.154 318 P CA 1.792 64.861 63.100 -0.052 0.000 0.872 318 P CB 0.212 31.888 31.700 -0.040 0.000 0.790 319 A N -2.106 120.668 122.820 -0.077 0.000 2.093 319 A HA -0.198 4.123 4.320 0.003 0.000 0.222 319 A C 1.770 179.242 177.584 -0.186 0.000 1.162 319 A CA 1.687 53.661 52.037 -0.103 0.000 0.655 319 A CB -1.226 17.728 19.000 -0.077 0.000 0.805 319 A HN 0.110 nan 8.150 nan 0.000 0.461 320 L N -0.710 120.400 121.223 -0.189 0.000 2.296 320 L HA 0.042 4.383 4.340 0.003 0.000 0.193 320 L C 2.259 178.936 176.870 -0.322 0.000 1.123 320 L CA 1.618 56.239 54.840 -0.365 0.000 0.805 320 L CB -1.174 40.854 42.059 -0.052 0.000 1.004 320 L HN 0.618 nan 8.230 nan 0.000 0.478 321 E N 1.360 121.523 120.200 -0.062 0.000 2.492 321 E HA -0.269 4.082 4.350 0.003 0.000 0.204 321 E C 1.792 178.393 176.600 0.001 0.000 1.073 321 E CA 0.996 57.413 56.400 0.027 0.000 0.887 321 E CB -0.380 29.306 29.700 -0.023 0.000 0.813 321 E HN 0.577 nan 8.360 nan 0.000 0.562 322 R N 1.653 122.106 120.500 -0.079 0.000 2.223 322 R HA 0.046 4.388 4.340 0.003 0.000 0.198 322 R C 1.896 178.155 176.300 -0.070 0.000 0.984 322 R CA 0.552 56.617 56.100 -0.058 0.000 1.018 322 R CB 0.032 30.290 30.300 -0.070 0.000 0.945 322 R HN 0.227 nan 8.270 nan 0.000 0.479 323 R N -0.897 119.503 120.500 -0.167 0.000 2.476 323 R HA 0.267 4.608 4.340 0.003 0.000 0.276 323 R C -0.824 175.458 176.300 -0.030 0.000 0.941 323 R CA -0.476 55.531 56.100 -0.156 0.000 1.088 323 R CB 0.305 30.447 30.300 -0.264 0.000 1.216 323 R HN -0.054 nan 8.270 nan 0.000 0.533 324 F N 1.894 121.886 119.950 0.069 0.000 2.421 324 F HA 0.421 4.949 4.527 0.003 0.000 0.337 324 F C 0.312 176.172 175.800 0.100 0.000 1.105 324 F CA -1.371 56.689 58.000 0.100 0.000 1.049 324 F CB 1.693 40.801 39.000 0.181 0.000 1.139 324 F HN -0.139 nan 8.300 nan 0.000 0.479 325 Q N 4.353 124.305 119.800 0.254 0.000 2.413 325 Q HA 0.340 4.682 4.340 0.003 0.000 0.258 325 Q C -2.502 173.464 176.000 -0.057 0.000 1.037 325 Q CA -2.174 53.692 55.803 0.105 0.000 0.764 325 Q CB 1.793 30.573 28.738 0.071 0.000 1.217 325 Q HN 0.254 nan 8.270 nan 0.000 0.490 326 P HA 0.016 nan 4.420 nan 0.000 0.267 326 P C -0.626 176.386 177.300 -0.480 0.000 1.200 326 P CA 0.013 62.783 63.100 -0.550 0.000 0.772 326 P CB 0.693 32.022 31.700 -0.618 0.000 0.855 327 V N 4.023 123.580 119.914 -0.596 0.000 2.538 327 V HA 0.149 4.271 4.120 0.003 0.000 0.265 327 V C -0.978 174.923 176.094 -0.321 0.000 0.977 327 V CA -0.573 61.535 62.300 -0.319 0.000 0.852 327 V CB -0.024 31.689 31.823 -0.184 0.000 1.058 327 V HN 0.379 nan 8.190 nan 0.000 0.462 328 Y N 2.482 122.736 120.300 -0.077 0.000 2.637 328 Y HA 0.262 4.814 4.550 0.003 0.000 0.350 328 Y C 0.633 176.510 175.900 -0.037 0.000 1.069 328 Y CA -0.463 57.603 58.100 -0.057 0.000 1.397 328 Y CB 0.230 38.672 38.460 -0.029 0.000 1.163 328 Y HN 0.334 nan 8.280 nan 0.000 0.527 329 V N 5.033 124.986 119.914 0.064 0.000 2.389 329 V HA 0.059 4.180 4.120 0.003 0.000 0.264 329 V C 0.178 176.307 176.094 0.058 0.000 1.049 329 V CA -0.722 61.602 62.300 0.040 0.000 0.932 329 V CB 0.097 31.923 31.823 0.004 0.000 1.011 329 V HN 0.655 nan 8.190 nan 0.000 0.475 330 D N 3.571 124.004 120.400 0.055 0.000 2.264 330 D HA 0.144 4.786 4.640 0.003 0.000 0.249 330 D C 0.321 176.639 176.300 0.031 0.000 1.070 330 D CA -0.260 53.768 54.000 0.046 0.000 0.912 330 D CB 1.461 42.284 40.800 0.037 0.000 1.193 330 D HN 0.642 nan 8.370 nan 0.000 0.427 331 E N 1.717 121.937 120.200 0.034 0.000 2.465 331 E HA 0.035 4.386 4.350 0.003 0.000 0.260 331 E C -2.160 174.444 176.600 0.007 0.000 0.980 331 E CA -1.118 55.298 56.400 0.028 0.000 0.927 331 E CB 0.482 30.208 29.700 0.044 0.000 0.934 331 E HN 0.032 nan 8.360 nan 0.000 0.459 332 P HA -0.016 nan 4.420 nan 0.000 0.270 332 P C -0.607 176.656 177.300 -0.062 0.000 1.223 332 P CA -0.103 62.982 63.100 -0.026 0.000 0.785 332 P CB 0.633 32.319 31.700 -0.023 0.000 0.923 333 T N -2.404 112.103 114.554 -0.079 0.000 2.847 333 T HA 0.153 4.504 4.350 0.003 0.000 0.279 333 T C 1.279 175.881 174.700 -0.162 0.000 0.984 333 T CA -0.599 61.417 62.100 -0.140 0.000 0.988 333 T CB 0.094 68.905 68.868 -0.094 0.000 1.040 333 T HN 0.007 nan 8.240 nan 0.000 0.528 334 V N 0.898 120.671 119.914 -0.235 0.000 2.332 334 V HA -0.112 4.009 4.120 0.003 0.000 0.248 334 V C 2.996 179.040 176.094 -0.083 0.000 1.055 334 V CA 1.891 64.091 62.300 -0.165 0.000 1.038 334 V CB -0.969 30.766 31.823 -0.147 0.000 0.651 334 V HN 0.875 nan 8.190 nan 0.000 0.450 335 E N 0.375 120.535 120.200 -0.067 0.000 2.031 335 E HA -0.217 4.134 4.350 0.003 0.000 0.193 335 E C 2.278 178.854 176.600 -0.039 0.000 0.994 335 E CA 1.644 58.020 56.400 -0.040 0.000 0.800 335 E CB -0.183 29.500 29.700 -0.030 0.000 0.752 335 E HN 0.735 nan 8.360 nan 0.000 0.447 336 E N -0.285 119.889 120.200 -0.043 0.000 2.038 336 E HA -0.161 4.190 4.350 0.003 0.000 0.195 336 E C 2.148 178.727 176.600 -0.036 0.000 1.000 336 E CA 1.696 58.075 56.400 -0.035 0.000 0.803 336 E CB -0.300 29.379 29.700 -0.034 0.000 0.750 336 E HN 0.187 nan 8.360 nan 0.000 0.448 337 T N 1.737 116.264 114.554 -0.045 0.000 2.699 337 T HA -0.178 4.174 4.350 0.003 0.000 0.268 337 T C 1.976 176.652 174.700 -0.041 0.000 1.036 337 T CA 1.114 63.189 62.100 -0.042 0.000 1.147 337 T CB -0.255 68.585 68.868 -0.047 0.000 0.862 337 T HN 0.138 nan 8.240 nan 0.000 0.446 338 I N 0.935 121.481 120.570 -0.039 0.000 2.226 338 I HA -0.183 3.989 4.170 0.003 0.000 0.245 338 I C 2.693 178.791 176.117 -0.031 0.000 1.100 338 I CA 0.960 62.239 61.300 -0.035 0.000 1.374 338 I CB -0.397 37.587 38.000 -0.028 0.000 1.057 338 I HN 0.207 nan 8.210 nan 0.000 0.413 339 S N 1.087 116.771 115.700 -0.027 0.000 2.348 339 S HA -0.145 4.327 4.470 0.003 0.000 0.221 339 S C 2.010 176.596 174.600 -0.023 0.000 1.033 339 S CA 1.341 59.529 58.200 -0.022 0.000 1.010 339 S CB -0.366 62.823 63.200 -0.018 0.000 0.891 339 S HN 0.316 nan 8.310 nan 0.000 0.442 340 I N 1.631 122.185 120.570 -0.026 0.000 2.118 340 I HA -0.255 3.917 4.170 0.003 0.000 0.241 340 I C 2.204 178.295 176.117 -0.042 0.000 1.070 340 I CA 1.307 62.591 61.300 -0.027 0.000 1.327 340 I CB -0.577 37.407 38.000 -0.027 0.000 1.034 340 I HN 0.234 nan 8.210 nan 0.000 0.405 341 L N 0.128 121.314 121.223 -0.061 0.000 2.012 341 L HA -0.234 4.107 4.340 0.003 0.000 0.210 341 L C 2.791 179.620 176.870 -0.069 0.000 1.073 341 L CA 1.547 56.329 54.840 -0.096 0.000 0.748 341 L CB -0.613 41.388 42.059 -0.097 0.000 0.891 341 L HN 0.187 nan 8.230 nan 0.000 0.431 342 R N -0.240 120.235 120.500 -0.042 0.000 2.159 342 R HA -0.132 4.210 4.340 0.003 0.000 0.237 342 R C 2.301 178.595 176.300 -0.010 0.000 1.131 342 R CA 1.078 57.164 56.100 -0.023 0.000 0.982 342 R CB -0.616 29.675 30.300 -0.016 0.000 0.868 342 R HN 0.485 nan 8.270 nan 0.000 0.453 343 G N 1.063 109.857 108.800 -0.010 0.000 2.464 343 G HA2 -0.216 3.745 3.960 0.003 0.000 0.214 343 G HA3 -0.216 3.745 3.960 0.003 0.000 0.214 343 G C 1.074 175.988 174.900 0.023 0.000 1.218 343 G CA 0.445 45.548 45.100 0.005 0.000 0.794 343 G HN 0.100 nan 8.290 nan 0.000 0.542 344 L N 1.178 122.414 121.223 0.022 0.000 2.551 344 L HA 0.154 4.495 4.340 0.003 0.000 0.228 344 L C 2.372 179.303 176.870 0.102 0.000 1.153 344 L CA 0.902 55.793 54.840 0.085 0.000 0.851 344 L CB -0.532 41.583 42.059 0.093 0.000 0.959 344 L HN 0.258 nan 8.230 nan 0.000 0.451 345 K N 0.613 121.030 120.400 0.029 0.000 2.071 345 K HA -0.351 3.970 4.320 0.003 0.000 0.217 345 K C 2.084 178.741 176.600 0.094 0.000 1.054 345 K CA 2.217 58.526 56.287 0.037 0.000 0.937 345 K CB -0.018 32.490 32.500 0.015 0.000 0.719 345 K HN 0.290 nan 8.250 nan 0.000 0.454 346 E N 0.847 121.094 120.200 0.078 0.000 2.013 346 E HA -0.224 4.127 4.350 0.003 0.000 0.202 346 E C 1.812 178.472 176.600 0.101 0.000 1.018 346 E CA 1.875 58.318 56.400 0.072 0.000 0.834 346 E CB -0.107 29.623 29.700 0.050 0.000 0.770 346 E HN 0.148 nan 8.360 nan 0.000 0.459 347 K N -0.235 120.237 120.400 0.120 0.000 2.030 347 K HA -0.240 4.082 4.320 0.003 0.000 0.222 347 K C 2.350 179.014 176.600 0.107 0.000 1.056 347 K CA 2.072 58.423 56.287 0.107 0.000 0.957 347 K CB -1.257 31.320 32.500 0.128 0.000 0.727 347 K HN 0.298 nan 8.250 nan 0.000 0.452 348 Y N 1.622 121.942 120.300 0.033 0.000 2.053 348 Y HA -0.239 4.314 4.550 0.004 0.000 0.277 348 Y C 2.572 178.540 175.900 0.113 0.000 1.159 348 Y CA 2.177 60.316 58.100 0.064 0.000 1.125 348 Y CB -0.793 37.717 38.460 0.083 0.000 0.969 348 Y HN 0.422 nan 8.280 nan 0.000 0.492 349 E N -0.564 119.789 120.200 0.254 0.000 2.396 349 E HA -0.130 4.222 4.350 0.003 0.000 0.200 349 E C 1.870 178.518 176.600 0.081 0.000 1.023 349 E CA 1.389 57.892 56.400 0.171 0.000 0.857 349 E CB -0.587 29.180 29.700 0.112 0.000 0.775 349 E HN 0.315 nan 8.360 nan 0.000 0.525 350 V N 1.412 121.348 119.914 0.037 0.000 2.407 350 V HA -0.213 3.909 4.120 0.003 0.000 0.245 350 V C 2.532 178.548 176.094 -0.130 0.000 1.041 350 V CA 1.870 64.118 62.300 -0.087 0.000 1.040 350 V CB -0.569 31.210 31.823 -0.074 0.000 0.671 350 V HN 0.521 nan 8.190 nan 0.000 0.455 351 H N -0.489 118.487 119.070 -0.158 0.000 2.428 351 H HA -0.107 4.449 4.556 0.000 0.000 0.296 351 H C 1.989 177.181 175.328 -0.227 0.000 1.062 351 H CA 1.563 57.487 56.048 -0.207 0.000 1.350 351 H CB 0.033 29.595 29.762 -0.333 0.000 1.403 351 H HN 0.465 nan 8.280 nan 0.000 0.533 352 H N -0.206 118.973 119.070 0.182 0.000 2.539 352 H HA 0.126 4.683 4.556 0.002 0.000 0.269 352 H C 1.000 176.347 175.328 0.031 0.000 0.980 352 H CA 0.635 56.763 56.048 0.134 0.000 1.152 352 H CB 0.047 29.915 29.762 0.175 0.000 1.407 352 H HN 0.575 nan 8.280 nan 0.000 0.564 353 G N 1.862 110.699 108.800 0.061 0.000 2.395 353 G HA2 -0.244 3.717 3.960 0.003 0.000 0.300 353 G HA3 -0.244 3.717 3.960 0.003 0.000 0.300 353 G C 0.558 175.492 174.900 0.057 0.000 0.998 353 G CA 0.842 45.946 45.100 0.007 0.000 1.046 353 G HN 0.438 nan 8.290 nan 0.000 0.513 354 V N -4.575 115.395 119.914 0.093 0.000 3.139 354 V HA 0.986 5.107 4.120 0.003 0.000 0.310 354 V C -0.114 176.018 176.094 0.063 0.000 1.260 354 V CA -1.801 60.548 62.300 0.082 0.000 1.064 354 V CB 2.073 33.957 31.823 0.102 0.000 1.160 354 V HN 0.224 nan 8.190 nan 0.000 0.470 355 R N 0.979 121.509 120.500 0.050 0.000 2.468 355 R HA 0.568 4.909 4.340 0.003 0.000 0.302 355 R C -1.317 175.003 176.300 0.033 0.000 1.041 355 R CA -0.318 55.805 56.100 0.038 0.000 0.899 355 R CB 1.373 31.688 30.300 0.026 0.000 1.167 355 R HN 0.804 nan 8.270 nan 0.000 0.483 356 I N 2.762 123.355 120.570 0.038 0.000 2.269 356 I HA 0.046 4.217 4.170 0.003 0.000 0.293 356 I C 1.086 177.208 176.117 0.008 0.000 1.106 356 I CA -0.251 61.062 61.300 0.022 0.000 1.248 356 I CB 0.701 38.719 38.000 0.030 0.000 1.444 356 I HN 0.492 nan 8.210 nan 0.000 0.497 357 S N 3.432 119.133 115.700 0.002 0.000 2.563 357 S HA -0.068 4.403 4.470 0.003 0.000 0.284 357 S C 1.115 175.710 174.600 -0.008 0.000 1.331 357 S CA -0.401 57.798 58.200 -0.002 0.000 1.047 357 S CB 1.141 64.339 63.200 -0.003 0.000 0.859 357 S HN 0.715 nan 8.310 nan 0.000 0.514 358 D N 1.731 122.128 120.400 -0.006 0.000 2.178 358 D HA -0.153 4.488 4.640 0.003 0.000 0.201 358 D C 1.863 178.156 176.300 -0.012 0.000 0.980 358 D CA 1.438 55.432 54.000 -0.010 0.000 0.842 358 D CB -0.114 40.682 40.800 -0.006 0.000 0.948 358 D HN 0.633 nan 8.370 nan 0.000 0.472 359 S N -0.152 115.542 115.700 -0.010 0.000 2.359 359 S HA -0.215 4.256 4.470 0.003 0.000 0.222 359 S C 2.155 176.745 174.600 -0.017 0.000 1.038 359 S CA 1.910 60.104 58.200 -0.011 0.000 1.051 359 S CB -0.356 62.839 63.200 -0.010 0.000 0.944 359 S HN 0.407 nan 8.310 nan 0.000 0.433 360 A N 1.181 123.989 122.820 -0.021 0.000 1.940 360 A HA -0.060 4.262 4.320 0.003 0.000 0.219 360 A C 2.124 179.687 177.584 -0.036 0.000 1.176 360 A CA 1.621 53.640 52.037 -0.031 0.000 0.631 360 A CB -0.806 18.175 19.000 -0.032 0.000 0.814 360 A HN 0.638 nan 8.150 nan 0.000 0.446 361 I N -0.301 120.249 120.570 -0.034 0.000 2.127 361 I HA -0.289 3.883 4.170 0.003 0.000 0.241 361 I C 2.312 178.408 176.117 -0.034 0.000 1.075 361 I CA 1.599 62.874 61.300 -0.042 0.000 1.334 361 I CB -0.384 37.592 38.000 -0.039 0.000 1.040 361 I HN 0.319 nan 8.210 nan 0.000 0.405 362 I N 0.748 121.304 120.570 -0.023 0.000 2.264 362 I HA -0.309 3.863 4.170 0.003 0.000 0.248 362 I C 2.788 178.900 176.117 -0.009 0.000 1.111 362 I CA 1.306 62.598 61.300 -0.014 0.000 1.382 362 I CB -0.543 37.453 38.000 -0.007 0.000 1.060 362 I HN 0.222 nan 8.210 nan 0.000 0.418 363 A N 0.931 123.742 122.820 -0.014 0.000 1.858 363 A HA -0.151 4.171 4.320 0.003 0.000 0.216 363 A C 2.608 180.183 177.584 -0.015 0.000 1.190 363 A CA 1.799 53.829 52.037 -0.010 0.000 0.617 363 A CB -0.931 18.055 19.000 -0.024 0.000 0.827 363 A HN 0.411 nan 8.150 nan 0.000 0.443 364 A N -0.253 122.546 122.820 -0.035 0.000 1.948 364 A HA 0.050 4.371 4.320 0.003 0.000 0.220 364 A C 2.457 180.029 177.584 -0.019 0.000 1.177 364 A CA 2.494 54.504 52.037 -0.045 0.000 0.636 364 A CB -0.923 18.039 19.000 -0.063 0.000 0.815 364 A HN 1.074 nan 8.150 nan 0.000 0.449 365 A N -1.601 121.211 122.820 -0.013 0.000 1.874 365 A HA 0.052 4.374 4.320 0.003 0.000 0.214 365 A C 2.317 179.920 177.584 0.031 0.000 1.189 365 A CA 2.013 54.050 52.037 -0.000 0.000 0.615 365 A CB -1.077 17.911 19.000 -0.019 0.000 0.830 365 A HN 0.413 nan 8.150 nan 0.000 0.443 366 T N 0.894 115.464 114.554 0.027 0.000 2.639 366 T HA -0.088 4.264 4.350 0.003 0.000 0.261 366 T C 1.878 176.594 174.700 0.028 0.000 1.053 366 T CA 1.517 63.642 62.100 0.042 0.000 1.158 366 T CB -0.556 68.334 68.868 0.038 0.000 0.863 366 T HN 0.321 nan 8.240 nan 0.000 0.413 367 L N 1.666 122.926 121.223 0.061 0.000 2.043 367 L HA -0.188 4.153 4.340 0.003 0.000 0.212 367 L C 2.960 179.894 176.870 0.106 0.000 1.075 367 L CA 1.736 56.666 54.840 0.150 0.000 0.752 367 L CB -0.998 41.126 42.059 0.109 0.000 0.891 367 L HN 0.431 nan 8.230 nan 0.000 0.432 368 S N -1.181 114.552 115.700 0.054 0.000 2.368 368 S HA -0.275 4.197 4.470 0.003 0.000 0.224 368 S C 1.926 176.544 174.600 0.031 0.000 1.029 368 S CA 1.248 59.484 58.200 0.061 0.000 0.988 368 S CB -0.687 62.553 63.200 0.067 0.000 0.838 368 S HN 0.571 nan 8.310 nan 0.000 0.462 369 H N 1.189 120.217 119.070 -0.070 0.000 2.545 369 H HA 0.249 4.806 4.556 0.002 0.000 0.282 369 H C 2.105 177.291 175.328 -0.237 0.000 1.020 369 H CA 1.354 57.355 56.048 -0.077 0.000 1.243 369 H CB -0.057 29.689 29.762 -0.028 0.000 1.377 369 H HN 0.415 nan 8.280 nan 0.000 0.581 370 R N -1.478 118.649 120.500 -0.622 0.000 2.344 370 R HA 0.085 4.426 4.340 0.003 0.000 0.209 370 R C 0.118 175.651 176.300 -1.278 0.000 0.886 370 R CA 0.352 55.626 56.100 -1.377 0.000 1.040 370 R CB 0.597 29.927 30.300 -1.618 0.000 1.114 370 R HN 0.356 nan 8.270 nan 0.000 0.547 371 Y N -1.058 119.114 120.300 -0.212 0.000 2.728 371 Y HA 0.382 4.933 4.550 0.002 0.000 0.256 371 Y C -0.075 175.808 175.900 -0.028 0.000 1.112 371 Y CA -0.528 57.507 58.100 -0.108 0.000 1.240 371 Y CB 1.285 39.702 38.460 -0.071 0.000 1.337 371 Y HN -0.161 nan 8.280 nan 0.000 0.559 372 I N 2.220 122.836 120.570 0.077 0.000 2.412 372 I HA 0.109 4.281 4.170 0.003 0.000 0.279 372 I C 0.961 177.117 176.117 0.065 0.000 1.063 372 I CA -0.060 61.315 61.300 0.125 0.000 1.193 372 I CB 1.110 39.221 38.000 0.185 0.000 1.370 372 I HN 0.225 nan 8.210 nan 0.000 0.479 373 T N 0.404 114.986 114.554 0.046 0.000 2.962 373 T HA -0.156 4.196 4.350 0.003 0.000 0.270 373 T C 1.338 176.049 174.700 0.019 0.000 1.088 373 T CA 0.899 63.007 62.100 0.013 0.000 1.127 373 T CB 0.262 69.130 68.868 0.001 0.000 0.883 373 T HN 0.504 nan 8.240 nan 0.000 0.493 374 E N 2.282 122.502 120.200 0.034 0.000 1.983 374 E HA 0.071 4.422 4.350 0.003 0.000 0.202 374 E C 1.029 177.647 176.600 0.030 0.000 0.944 374 E CA 0.729 57.140 56.400 0.018 0.000 0.903 374 E CB -0.205 29.492 29.700 -0.004 0.000 0.843 374 E HN 0.485 nan 8.360 nan 0.000 0.542 375 R N -0.276 120.250 120.500 0.044 0.000 2.893 375 R HA 0.267 4.608 4.340 0.003 0.000 0.279 375 R C 0.091 176.431 176.300 0.067 0.000 1.076 375 R CA 0.203 56.336 56.100 0.054 0.000 1.203 375 R CB 0.303 30.644 30.300 0.068 0.000 1.137 375 R HN 0.231 nan 8.270 nan 0.000 0.541 376 R N 1.225 121.765 120.500 0.066 0.000 2.445 376 R HA 0.180 4.521 4.340 0.003 0.000 0.308 376 R C 1.057 177.402 176.300 0.075 0.000 0.961 376 R CA -0.571 55.573 56.100 0.073 0.000 0.862 376 R CB 1.177 31.514 30.300 0.062 0.000 1.144 376 R HN 0.542 nan 8.270 nan 0.000 0.447 377 L N 2.863 124.139 121.223 0.089 0.000 2.434 377 L HA -0.392 3.949 4.340 0.003 0.000 0.244 377 L C -0.808 176.087 176.870 0.042 0.000 1.169 377 L CA 2.379 57.260 54.840 0.069 0.000 0.804 377 L CB -1.567 40.520 42.059 0.047 0.000 1.020 377 L HN 0.555 nan 8.230 nan 0.000 0.414 378 P HA -0.222 nan 4.420 nan 0.000 0.216 378 P C 0.992 178.309 177.300 0.028 0.000 1.167 378 P CA 2.261 65.372 63.100 0.018 0.000 0.933 378 P CB -0.067 31.646 31.700 0.021 0.000 0.793 379 D N -0.562 119.866 120.400 0.047 0.000 2.119 379 D HA -0.198 4.444 4.640 0.003 0.000 0.199 379 D C 1.970 178.319 176.300 0.081 0.000 0.987 379 D CA 1.894 55.932 54.000 0.064 0.000 0.858 379 D CB -0.700 40.142 40.800 0.070 0.000 1.008 379 D HN 0.193 nan 8.370 nan 0.000 0.450 380 K N 0.355 120.818 120.400 0.105 0.000 2.163 380 K HA -0.239 4.083 4.320 0.003 0.000 0.210 380 K C 2.065 178.730 176.600 0.108 0.000 1.048 380 K CA 1.969 58.347 56.287 0.153 0.000 0.928 380 K CB -0.533 32.070 32.500 0.171 0.000 0.716 380 K HN 0.137 nan 8.250 nan 0.000 0.459 381 A N 1.692 124.545 122.820 0.055 0.000 1.877 381 A HA -0.071 4.251 4.320 0.003 0.000 0.216 381 A C 2.226 179.793 177.584 -0.028 0.000 1.186 381 A CA 1.562 53.602 52.037 0.006 0.000 0.620 381 A CB -0.540 18.455 19.000 -0.009 0.000 0.822 381 A HN 0.348 nan 8.150 nan 0.000 0.443 382 I N 0.068 120.619 120.570 -0.032 0.000 2.113 382 I HA -0.256 3.915 4.170 0.003 0.000 0.238 382 I C 1.945 178.064 176.117 0.002 0.000 1.070 382 I CA 1.591 62.836 61.300 -0.091 0.000 1.332 382 I CB -0.708 37.248 38.000 -0.073 0.000 1.044 382 I HN 0.278 nan 8.210 nan 0.000 0.402 383 D N 0.900 121.357 120.400 0.095 0.000 2.191 383 D HA -0.220 4.421 4.640 0.003 0.000 0.195 383 D C 2.080 178.459 176.300 0.132 0.000 1.003 383 D CA 1.409 55.516 54.000 0.179 0.000 0.867 383 D CB -0.338 40.624 40.800 0.271 0.000 0.926 383 D HN 0.173 nan 8.370 nan 0.000 0.450 384 L N 0.946 122.185 121.223 0.028 0.000 1.976 384 L HA -0.138 4.203 4.340 0.003 0.000 0.209 384 L C 2.481 179.297 176.870 -0.091 0.000 1.071 384 L CA 1.297 56.056 54.840 -0.135 0.000 0.746 384 L CB -0.668 41.290 42.059 -0.169 0.000 0.890 384 L HN 0.027 nan 8.230 nan 0.000 0.432 385 I N -0.673 119.856 120.570 -0.069 0.000 2.127 385 I HA -0.348 3.823 4.170 0.003 0.000 0.241 385 I C 2.243 178.368 176.117 0.012 0.000 1.075 385 I CA 1.852 63.117 61.300 -0.059 0.000 1.334 385 I CB -0.492 37.441 38.000 -0.112 0.000 1.040 385 I HN 0.366 nan 8.210 nan 0.000 0.405 386 D N 0.731 121.196 120.400 0.107 0.000 2.104 386 D HA -0.258 4.384 4.640 0.003 0.000 0.194 386 D C 2.033 178.397 176.300 0.106 0.000 0.994 386 D CA 1.522 55.677 54.000 0.258 0.000 0.830 386 D CB 0.045 41.075 40.800 0.384 0.000 0.959 386 D HN 0.201 nan 8.370 nan 0.000 0.452 387 E N -0.343 119.909 120.200 0.087 0.000 2.051 387 E HA -0.123 4.228 4.350 0.003 0.000 0.192 387 E C 1.875 178.459 176.600 -0.026 0.000 0.991 387 E CA 1.343 57.782 56.400 0.064 0.000 0.799 387 E CB -0.415 29.337 29.700 0.086 0.000 0.748 387 E HN 0.335 nan 8.360 nan 0.000 0.449 388 A N 1.005 123.783 122.820 -0.069 0.000 1.829 388 A HA -0.162 4.159 4.320 0.003 0.000 0.216 388 A C 2.470 179.983 177.584 -0.118 0.000 1.207 388 A CA 2.501 54.483 52.037 -0.091 0.000 0.622 388 A CB -1.516 17.429 19.000 -0.091 0.000 0.846 388 A HN 0.386 nan 8.150 nan 0.000 0.447 389 A N -0.313 122.409 122.820 -0.164 0.000 1.894 389 A HA -0.098 4.223 4.320 0.003 0.000 0.220 389 A C 2.591 179.897 177.584 -0.463 0.000 1.237 389 A CA 3.529 55.382 52.037 -0.307 0.000 0.660 389 A CB -1.481 17.289 19.000 -0.384 0.000 0.835 389 A HN 1.476 nan 8.150 nan 0.000 0.461 390 A N -0.663 121.806 122.820 -0.585 0.000 1.869 390 A HA -0.282 4.040 4.320 0.003 0.000 0.218 390 A C 2.228 179.774 177.584 -0.064 0.000 1.203 390 A CA 2.461 54.353 52.037 -0.240 0.000 0.638 390 A CB -0.753 18.262 19.000 0.025 0.000 0.831 390 A HN 0.642 nan 8.150 nan 0.000 0.450 391 R N -0.632 119.842 120.500 -0.044 0.000 2.171 391 R HA -0.224 4.118 4.340 0.003 0.000 0.232 391 R C 2.259 178.557 176.300 -0.003 0.000 1.116 391 R CA 2.237 58.334 56.100 -0.005 0.000 0.901 391 R CB -0.789 29.503 30.300 -0.014 0.000 0.850 391 R HN 0.542 nan 8.270 nan 0.000 0.431 392 L N 1.030 122.239 121.223 -0.023 0.000 2.151 392 L HA -0.272 4.070 4.340 0.003 0.000 0.215 392 L C 2.771 179.657 176.870 0.028 0.000 1.084 392 L CA 2.016 56.856 54.840 0.000 0.000 0.764 392 L CB -0.344 41.707 42.059 -0.013 0.000 0.891 392 L HN 0.330 nan 8.230 nan 0.000 0.435 393 R N -0.008 120.502 120.500 0.017 0.000 2.120 393 R HA -0.229 4.113 4.340 0.003 0.000 0.234 393 R C 2.356 178.711 176.300 0.092 0.000 1.123 393 R CA 1.957 58.101 56.100 0.073 0.000 0.975 393 R CB -0.331 30.048 30.300 0.132 0.000 0.866 393 R HN 0.673 nan 8.270 nan 0.000 0.446 394 M N -0.724 118.925 119.600 0.082 0.000 2.132 394 M HA 0.082 4.564 4.480 0.003 0.000 0.263 394 M C 2.202 178.562 176.300 0.100 0.000 1.065 394 M CA 1.998 57.352 55.300 0.089 0.000 1.122 394 M CB -0.337 32.308 32.600 0.075 0.000 1.365 394 M HN 0.032 nan 8.290 nan 0.000 0.411 395 A N 1.414 124.285 122.820 0.084 0.000 1.892 395 A HA -0.115 4.207 4.320 0.003 0.000 0.218 395 A C 2.243 179.918 177.584 0.151 0.000 1.188 395 A CA 2.189 54.281 52.037 0.092 0.000 0.631 395 A CB -1.307 17.732 19.000 0.066 0.000 0.822 395 A HN 0.652 nan 8.150 nan 0.000 0.447 396 L N -0.844 120.473 121.223 0.156 0.000 1.994 396 L HA -0.198 4.143 4.340 0.003 0.000 0.208 396 L C 2.215 179.265 176.870 0.301 0.000 1.071 396 L CA 1.751 56.719 54.840 0.213 0.000 0.745 396 L CB -0.631 41.509 42.059 0.135 0.000 0.892 396 L HN 0.461 nan 8.230 nan 0.000 0.431 397 E N -0.072 120.258 120.200 0.217 0.000 2.512 397 E HA -0.027 4.324 4.350 0.003 0.000 0.195 397 E C 0.423 177.223 176.600 0.332 0.000 1.083 397 E CA 0.025 56.563 56.400 0.230 0.000 0.873 397 E CB 0.034 29.811 29.700 0.129 0.000 0.897 397 E HN 0.430 nan 8.360 nan 0.000 0.514 398 S N -0.161 115.736 115.700 0.328 0.000 2.578 398 S HA 0.646 5.118 4.470 0.003 0.000 0.301 398 S C 0.070 174.669 174.600 -0.003 0.000 1.091 398 S CA -1.055 57.256 58.200 0.184 0.000 1.032 398 S CB 1.922 65.175 63.200 0.088 0.000 1.064 398 S HN 0.093 nan 8.310 nan 0.000 0.508 399 A N 3.012 125.698 122.820 -0.223 0.000 2.548 399 A HA 0.453 4.775 4.320 0.003 0.000 0.247 399 A C -2.014 175.288 177.584 -0.471 0.000 1.067 399 A CA -0.677 51.000 52.037 -0.600 0.000 0.757 399 A CB -1.202 17.594 19.000 -0.341 0.000 0.996 399 A HN 0.711 nan 8.150 nan 0.000 0.504 400 P HA -0.047 nan 4.420 nan 0.000 0.276 400 P C 1.014 178.238 177.300 -0.127 0.000 1.264 400 P CA -0.012 62.931 63.100 -0.261 0.000 0.815 400 P CB 0.511 32.152 31.700 -0.099 0.000 1.121 401 E N -0.019 120.156 120.200 -0.041 0.000 2.024 401 E HA -0.153 4.199 4.350 0.003 0.000 0.190 401 E C 1.539 178.127 176.600 -0.020 0.000 0.974 401 E CA 0.669 57.045 56.400 -0.039 0.000 0.810 401 E CB -0.322 29.355 29.700 -0.039 0.000 0.775 401 E HN 0.333 nan 8.360 nan 0.000 0.453 402 E N 0.733 120.940 120.200 0.012 0.000 2.169 402 E HA -0.244 4.108 4.350 0.003 0.000 0.202 402 E C 2.249 178.869 176.600 0.033 0.000 1.016 402 E CA 1.511 57.933 56.400 0.036 0.000 0.817 402 E CB -0.226 29.527 29.700 0.088 0.000 0.736 402 E HN 0.429 nan 8.360 nan 0.000 0.462 403 I N 1.474 122.057 120.570 0.021 0.000 2.090 403 I HA -0.269 3.903 4.170 0.003 0.000 0.236 403 I C 1.919 178.006 176.117 -0.050 0.000 1.064 403 I CA 1.297 62.573 61.300 -0.040 0.000 1.324 403 I CB -0.396 37.518 38.000 -0.143 0.000 1.044 403 I HN 0.014 nan 8.210 nan 0.000 0.399 404 D N 1.231 121.589 120.400 -0.070 0.000 2.203 404 D HA -0.206 4.436 4.640 0.003 0.000 0.199 404 D C 2.084 178.364 176.300 -0.033 0.000 0.997 404 D CA 1.542 55.508 54.000 -0.056 0.000 0.863 404 D CB -0.305 40.459 40.800 -0.060 0.000 0.928 404 D HN 0.413 nan 8.370 nan 0.000 0.458 405 A N 0.819 123.624 122.820 -0.024 0.000 1.835 405 A HA -0.126 4.196 4.320 0.003 0.000 0.215 405 A C 2.371 179.949 177.584 -0.011 0.000 1.199 405 A CA 1.078 53.106 52.037 -0.015 0.000 0.615 405 A CB -0.947 18.047 19.000 -0.010 0.000 0.838 405 A HN 0.230 nan 8.150 nan 0.000 0.444 406 L N -0.341 120.878 121.223 -0.006 0.000 2.187 406 L HA -0.207 4.135 4.340 0.003 0.000 0.213 406 L C 2.535 179.400 176.870 -0.009 0.000 1.100 406 L CA 1.171 56.008 54.840 -0.004 0.000 0.765 406 L CB -0.769 41.292 42.059 0.003 0.000 0.904 406 L HN 0.371 nan 8.230 nan 0.000 0.437 407 E N 0.016 120.206 120.200 -0.017 0.000 2.085 407 E HA -0.187 4.164 4.350 0.003 0.000 0.194 407 E C 2.336 178.928 176.600 -0.013 0.000 0.994 407 E CA 0.994 57.383 56.400 -0.018 0.000 0.801 407 E CB -0.183 29.500 29.700 -0.027 0.000 0.743 407 E HN 0.329 nan 8.360 nan 0.000 0.453 408 R N 0.903 121.396 120.500 -0.013 0.000 2.055 408 R HA 0.005 4.347 4.340 0.003 0.000 0.226 408 R C 2.276 178.572 176.300 -0.007 0.000 1.135 408 R CA 1.006 57.100 56.100 -0.009 0.000 0.959 408 R CB -0.609 29.685 30.300 -0.010 0.000 0.854 408 R HN 0.118 nan 8.270 nan 0.000 0.431 409 K N 1.097 121.493 120.400 -0.006 0.000 2.144 409 K HA -0.248 4.073 4.320 0.003 0.000 0.209 409 K C 2.026 178.624 176.600 -0.003 0.000 1.047 409 K CA 2.035 58.320 56.287 -0.004 0.000 0.927 409 K CB -0.050 32.448 32.500 -0.003 0.000 0.716 409 K HN 0.014 nan 8.250 nan 0.000 0.454 410 K N 0.415 120.813 120.400 -0.003 0.000 1.973 410 K HA -0.164 4.157 4.320 0.003 0.000 0.210 410 K C 2.142 178.740 176.600 -0.003 0.000 1.045 410 K CA 1.338 57.624 56.287 -0.003 0.000 0.937 410 K CB -0.293 32.205 32.500 -0.003 0.000 0.721 410 K HN 0.138 nan 8.250 nan 0.000 0.438 411 L N 1.850 123.071 121.223 -0.004 0.000 2.197 411 L HA -0.253 4.089 4.340 0.003 0.000 0.215 411 L C 2.308 179.177 176.870 -0.003 0.000 1.095 411 L CA 1.664 56.502 54.840 -0.003 0.000 0.764 411 L CB -0.433 41.623 42.059 -0.004 0.000 0.897 411 L HN 0.338 nan 8.230 nan 0.000 0.436 412 Q N -0.463 119.335 119.800 -0.003 0.000 1.965 412 Q HA -0.148 4.194 4.340 0.003 0.000 0.200 412 Q C 2.305 178.304 176.000 -0.002 0.000 0.981 412 Q CA 2.002 57.803 55.803 -0.002 0.000 0.834 412 Q CB -0.723 28.013 28.738 -0.003 0.000 0.900 412 Q HN 0.536 nan 8.270 nan 0.000 0.426 413 L N 0.733 121.956 121.223 -0.001 0.000 2.187 413 L HA -0.182 4.160 4.340 0.003 0.000 0.213 413 L C 2.401 179.271 176.870 -0.001 0.000 1.100 413 L CA 1.045 55.885 54.840 -0.001 0.000 0.765 413 L CB -0.495 41.563 42.059 -0.000 0.000 0.904 413 L HN 0.344 nan 8.230 nan 0.000 0.437 414 E N 0.973 121.173 120.200 -0.001 0.000 2.007 414 E HA -0.261 4.091 4.350 0.003 0.000 0.194 414 E C 2.297 178.896 176.600 -0.001 0.000 0.999 414 E CA 1.264 57.663 56.400 -0.001 0.000 0.811 414 E CB -0.081 29.619 29.700 -0.001 0.000 0.762 414 E HN 0.430 nan 8.360 nan 0.000 0.450 415 I N 0.992 121.561 120.570 -0.001 0.000 2.315 415 I HA -0.294 3.877 4.170 0.003 0.000 0.251 415 I C 2.220 178.337 176.117 -0.001 0.000 1.125 415 I CA 1.574 62.874 61.300 -0.001 0.000 1.392 415 I CB -0.014 37.986 38.000 -0.001 0.000 1.065 415 I HN 0.176 nan 8.210 nan 0.000 0.424 416 E N 1.315 121.515 120.200 -0.001 0.000 2.072 416 E HA -0.276 4.076 4.350 0.003 0.000 0.191 416 E C 2.254 178.854 176.600 -0.000 0.000 0.985 416 E CA 1.435 57.835 56.400 -0.000 0.000 0.801 416 E CB -0.284 29.416 29.700 -0.001 0.000 0.750 416 E HN 0.409 nan 8.360 nan 0.000 0.452 417 R N 0.250 120.750 120.500 -0.000 0.000 2.096 417 R HA -0.180 4.162 4.340 0.003 0.000 0.229 417 R C 2.160 178.460 176.300 0.000 0.000 1.134 417 R CA 1.924 58.024 56.100 0.000 0.000 0.917 417 R CB -0.303 29.998 30.300 0.000 0.000 0.832 417 R HN 0.145 nan 8.270 nan 0.000 0.430 418 E N 0.176 120.377 120.200 0.000 0.000 2.108 418 E HA -0.246 4.106 4.350 0.003 0.000 0.203 418 E C 1.776 178.376 176.600 0.000 0.000 1.022 418 E CA 1.789 58.189 56.400 0.000 0.000 0.823 418 E CB -0.408 29.292 29.700 0.000 0.000 0.744 418 E HN 0.544 nan 8.360 nan 0.000 0.456 419 A N 0.486 123.306 122.820 -0.000 0.000 2.119 419 A HA -0.001 4.320 4.320 0.003 0.000 0.217 419 A C 2.163 179.747 177.584 -0.000 0.000 1.153 419 A CA 0.485 52.522 52.037 -0.000 0.000 0.692 419 A CB -0.326 18.674 19.000 -0.000 0.000 0.799 419 A HN 0.237 nan 8.150 nan 0.000 0.458 420 L N -0.549 120.674 121.223 0.000 0.000 2.446 420 L HA 0.090 4.431 4.340 0.003 0.000 0.219 420 L C 1.858 178.728 176.870 0.000 0.000 1.116 420 L CA 1.008 55.848 54.840 0.000 0.000 0.844 420 L CB -0.048 42.011 42.059 0.000 0.000 0.970 420 L HN 0.482 nan 8.230 nan 0.000 0.457 421 K N -0.685 119.715 120.400 0.000 0.000 2.446 421 K HA 0.077 4.399 4.320 0.003 0.000 0.203 421 K C 0.622 177.223 176.600 0.000 0.000 1.027 421 K CA -0.415 55.873 56.287 0.000 0.000 1.166 421 K CB 0.273 32.773 32.500 0.000 0.000 0.869 421 K HN 0.102 nan 8.250 nan 0.000 0.504 422 K N 1.163 121.563 120.400 0.000 0.000 3.044 422 K HA 0.097 4.418 4.320 0.003 0.000 0.336 422 K C -0.355 176.245 176.600 0.000 0.000 1.014 422 K CA -0.234 56.053 56.287 0.000 0.000 1.380 422 K CB -0.860 31.640 32.500 0.000 0.000 1.480 422 K HN 0.091 nan 8.250 nan 0.000 0.595 423 E N 2.051 122.251 120.200 0.000 0.000 3.601 423 E HA -0.204 4.147 4.350 0.003 0.000 0.255 423 E C 0.093 176.693 176.600 0.000 0.000 0.855 423 E CA 0.437 56.837 56.400 0.000 0.000 0.956 423 E CB -0.238 29.462 29.700 0.000 0.000 0.892 423 E HN 0.304 nan 8.360 nan 0.000 0.575 424 K N 2.544 122.944 120.400 0.000 0.000 2.606 424 K HA -0.296 4.026 4.320 0.003 0.000 0.209 424 K C 0.622 177.222 176.600 0.000 0.000 0.667 424 K CA 1.710 57.997 56.287 0.000 0.000 0.844 424 K CB -0.193 32.307 32.500 0.000 0.000 0.260 424 K HN 0.743 nan 8.250 nan 0.000 1.063 425 D N -0.732 119.668 120.400 0.000 0.000 2.760 425 D HA -0.065 4.576 4.640 0.003 0.000 0.244 425 D C -2.110 174.190 176.300 0.000 0.000 1.123 425 D CA 0.305 54.305 54.000 0.000 0.000 0.719 425 D CB -0.603 40.197 40.800 0.000 0.000 1.045 425 D HN 0.125 nan 8.370 nan 0.000 0.426 426 P HA -0.123 nan 4.420 nan 0.000 0.231 426 P C 0.940 178.240 177.300 0.000 0.000 1.154 426 P CA 1.464 64.564 63.100 0.000 0.000 0.762 426 P CB 0.069 31.770 31.700 0.000 0.000 0.790 427 D N -3.202 117.198 120.400 0.000 0.000 2.463 427 D HA 0.033 4.674 4.640 0.003 0.000 0.237 427 D C 1.645 177.945 176.300 0.000 0.000 1.013 427 D CA 0.490 54.490 54.000 0.000 0.000 0.910 427 D CB -0.512 40.289 40.800 0.000 0.000 1.080 427 D HN 0.029 nan 8.370 nan 0.000 0.498 428 S N 0.134 115.834 115.700 0.000 0.000 2.483 428 S HA -0.065 4.406 4.470 0.003 0.000 0.221 428 S C 1.867 176.467 174.600 0.000 0.000 1.030 428 S CA 0.685 58.885 58.200 0.000 0.000 0.925 428 S CB -0.047 63.153 63.200 0.000 0.000 0.795 428 S HN 0.407 nan 8.310 nan 0.000 0.511 429 Q N -0.476 119.324 119.800 0.000 0.000 2.384 429 Q HA 0.203 4.545 4.340 0.003 0.000 0.207 429 Q C 1.275 177.275 176.000 0.000 0.000 0.904 429 Q CA 0.271 56.074 55.803 0.000 0.000 0.933 429 Q CB -0.035 28.703 28.738 0.000 0.000 1.077 429 Q HN 0.246 nan 8.270 nan 0.000 0.522 430 E N 2.264 122.464 120.200 0.000 0.000 2.021 430 E HA -0.140 4.211 4.350 0.003 0.000 0.189 430 E C 2.115 178.715 176.600 0.001 0.000 0.980 430 E CA 1.614 58.014 56.400 0.001 0.000 0.803 430 E CB -0.279 29.421 29.700 0.001 0.000 0.766 430 E HN 0.593 nan 8.360 nan 0.000 0.449 431 R N 1.154 121.655 120.500 0.001 0.000 2.103 431 R HA -0.109 4.233 4.340 0.003 0.000 0.242 431 R C 2.464 178.764 176.300 0.001 0.000 1.142 431 R CA 1.501 57.601 56.100 0.001 0.000 0.960 431 R CB -0.881 29.419 30.300 0.001 0.000 0.858 431 R HN 0.108 nan 8.270 nan 0.000 0.439 432 L N 0.972 122.196 121.223 0.001 0.000 2.005 432 L HA -0.106 4.236 4.340 0.003 0.000 0.207 432 L C 2.944 179.814 176.870 0.001 0.000 1.072 432 L CA 1.832 56.672 54.840 0.001 0.000 0.744 432 L CB -0.563 41.496 42.059 0.000 0.000 0.895 432 L HN 0.288 nan 8.230 nan 0.000 0.433 433 K N 0.237 120.638 120.400 0.001 0.000 2.160 433 K HA -0.232 4.090 4.320 0.003 0.000 0.206 433 K C 1.927 178.527 176.600 0.001 0.000 1.047 433 K CA 1.455 57.743 56.287 0.001 0.000 0.930 433 K CB 0.006 32.506 32.500 0.001 0.000 0.720 433 K HN 0.331 nan 8.250 nan 0.000 0.450 434 A N 1.201 124.021 122.820 0.001 0.000 1.850 434 A HA -0.018 4.304 4.320 0.003 0.000 0.212 434 A C 1.975 179.559 177.584 0.001 0.000 1.208 434 A CA 0.832 52.870 52.037 0.001 0.000 0.609 434 A CB -0.423 18.578 19.000 0.001 0.000 0.860 434 A HN 0.420 nan 8.150 nan 0.000 0.448 435 I N -0.313 120.257 120.570 0.001 0.000 3.241 435 I HA -0.136 4.036 4.170 0.003 0.000 0.280 435 I C 1.899 178.016 176.117 0.001 0.000 1.320 435 I CA 1.285 62.586 61.300 0.001 0.000 1.413 435 I CB -0.027 37.974 38.000 0.001 0.000 1.060 435 I HN 0.468 nan 8.210 nan 0.000 0.500 436 E N 1.087 121.288 120.200 0.001 0.000 2.057 436 E HA -0.051 4.301 4.350 0.003 0.000 0.190 436 E C 2.129 178.730 176.600 0.001 0.000 0.969 436 E CA 1.439 57.840 56.400 0.001 0.000 0.812 436 E CB -0.199 29.501 29.700 0.001 0.000 0.777 436 E HN 0.410 nan 8.360 nan 0.000 0.455 437 A N 0.704 123.525 122.820 0.001 0.000 1.940 437 A HA -0.223 4.099 4.320 0.003 0.000 0.219 437 A C 2.134 179.719 177.584 0.002 0.000 1.176 437 A CA 1.973 54.011 52.037 0.002 0.000 0.631 437 A CB -0.754 18.247 19.000 0.001 0.000 0.814 437 A HN 0.338 nan 8.150 nan 0.000 0.446 438 E N 0.289 120.490 120.200 0.002 0.000 2.005 438 E HA -0.199 4.153 4.350 0.003 0.000 0.198 438 E C 1.759 178.360 176.600 0.003 0.000 1.010 438 E CA 1.646 58.047 56.400 0.002 0.000 0.825 438 E CB -0.530 29.172 29.700 0.002 0.000 0.769 438 E HN 0.533 nan 8.360 nan 0.000 0.456 439 I N 0.061 120.632 120.570 0.002 0.000 2.502 439 I HA -0.261 3.910 4.170 0.003 0.000 0.258 439 I C 1.543 177.662 176.117 0.003 0.000 1.172 439 I CA 1.319 62.620 61.300 0.003 0.000 1.430 439 I CB -0.174 37.827 38.000 0.002 0.000 1.086 439 I HN 0.256 nan 8.210 nan 0.000 0.440 440 A N 0.895 123.716 122.820 0.002 0.000 2.255 440 A HA -0.126 4.196 4.320 0.003 0.000 0.206 440 A C 1.766 179.352 177.584 0.003 0.000 1.193 440 A CA 0.978 53.017 52.037 0.002 0.000 0.794 440 A CB -0.499 18.502 19.000 0.002 0.000 0.794 440 A HN 0.569 nan 8.150 nan 0.000 0.481 441 K N -0.674 119.728 120.400 0.004 0.000 2.283 441 K HA -0.009 4.312 4.320 0.003 0.000 0.202 441 K C 1.222 177.826 176.600 0.006 0.000 1.048 441 K CA 0.952 57.242 56.287 0.005 0.000 0.948 441 K CB -0.903 31.600 32.500 0.005 0.000 0.742 441 K HN 0.219 nan 8.250 nan 0.000 0.458 442 L N 1.996 123.222 121.223 0.006 0.000 2.211 442 L HA -0.225 4.117 4.340 0.003 0.000 0.216 442 L C 2.189 179.063 176.870 0.007 0.000 1.092 442 L CA 2.223 57.067 54.840 0.007 0.000 0.767 442 L CB -1.234 40.828 42.059 0.006 0.000 0.894 442 L HN 0.547 nan 8.230 nan 0.000 0.437 443 T N -1.579 112.978 114.554 0.005 0.000 2.918 443 T HA -0.221 4.131 4.350 0.003 0.000 0.271 443 T C 1.664 176.367 174.700 0.006 0.000 1.104 443 T CA 1.715 63.817 62.100 0.004 0.000 1.114 443 T CB -0.209 68.661 68.868 0.003 0.000 0.855 443 T HN 0.596 nan 8.240 nan 0.000 0.518 444 E N 0.080 120.285 120.200 0.008 0.000 2.028 444 E HA -0.099 4.253 4.350 0.003 0.000 0.191 444 E C 2.474 179.082 176.600 0.013 0.000 0.988 444 E CA 1.035 57.441 56.400 0.010 0.000 0.799 444 E CB -0.065 29.642 29.700 0.011 0.000 0.755 444 E HN 0.477 nan 8.360 nan 0.000 0.447 445 E N 0.806 121.016 120.200 0.017 0.000 2.118 445 E HA -0.188 4.163 4.350 0.003 0.000 0.195 445 E C 2.080 178.691 176.600 0.017 0.000 0.992 445 E CA 0.837 57.252 56.400 0.025 0.000 0.804 445 E CB -0.258 29.460 29.700 0.030 0.000 0.741 445 E HN 0.386 nan 8.360 nan 0.000 0.458 446 I N 0.284 120.859 120.570 0.008 0.000 2.800 446 I HA -0.227 3.945 4.170 0.003 0.000 0.266 446 I C 2.034 178.147 176.117 -0.007 0.000 1.249 446 I CA 0.900 62.198 61.300 -0.003 0.000 1.458 446 I CB -0.184 37.814 38.000 -0.004 0.000 1.093 446 I HN -0.005 nan 8.210 nan 0.000 0.466 447 A N 0.229 123.049 122.820 0.000 0.000 2.026 447 A HA 0.014 4.335 4.320 0.003 0.000 0.198 447 A C 2.249 179.833 177.584 -0.000 0.000 1.390 447 A CA 0.079 52.116 52.037 0.001 0.000 0.915 447 A CB -0.099 18.904 19.000 0.005 0.000 0.974 447 A HN 0.184 nan 8.150 nan 0.000 0.477 448 K N 0.526 120.930 120.400 0.007 0.000 1.969 448 K HA -0.109 4.212 4.320 0.003 0.000 0.216 448 K C 1.799 178.400 176.600 0.002 0.000 1.048 448 K CA 1.855 58.150 56.287 0.014 0.000 0.948 448 K CB -0.496 32.022 32.500 0.030 0.000 0.726 448 K HN 0.379 nan 8.250 nan 0.000 0.442 449 L N 0.756 121.984 121.223 0.008 0.000 2.013 449 L HA -0.201 4.141 4.340 0.003 0.000 0.212 449 L C 2.953 179.694 176.870 -0.214 0.000 1.073 449 L CA 1.688 56.498 54.840 -0.050 0.000 0.753 449 L CB -0.643 41.453 42.059 0.062 0.000 0.890 449 L HN 0.382 nan 8.230 nan 0.000 0.432 450 R N 0.288 120.722 120.500 -0.111 0.000 2.211 450 R HA -0.200 4.141 4.340 0.003 0.000 0.240 450 R C 2.088 178.391 176.300 0.006 0.000 1.144 450 R CA 1.334 57.406 56.100 -0.047 0.000 0.992 450 R CB -0.083 30.213 30.300 -0.007 0.000 0.869 450 R HN 0.412 nan 8.270 nan 0.000 0.462 451 A N 0.209 123.012 122.820 -0.028 0.000 1.911 451 A HA -0.083 4.239 4.320 0.003 0.000 0.212 451 A C 1.867 179.428 177.584 -0.038 0.000 1.189 451 A CA 0.953 52.980 52.037 -0.018 0.000 0.639 451 A CB -0.216 18.779 19.000 -0.008 0.000 0.839 451 A HN 0.355 nan 8.150 nan 0.000 0.449 452 E N -1.071 119.090 120.200 -0.065 0.000 2.265 452 E HA -0.186 4.166 4.350 0.003 0.000 0.196 452 E C 1.479 178.018 176.600 -0.102 0.000 0.996 452 E CA 1.167 57.540 56.400 -0.046 0.000 0.832 452 E CB -0.334 29.387 29.700 0.036 0.000 0.756 452 E HN 0.701 nan 8.360 nan 0.000 0.491 453 W N 0.971 121.994 121.300 -0.461 0.000 2.488 453 W HA 0.059 4.719 4.660 0.001 0.000 0.304 453 W C 2.086 178.502 176.519 -0.173 0.000 1.175 453 W CA 1.411 58.503 57.345 -0.421 0.000 1.365 453 W CB -0.637 28.514 29.460 -0.515 0.000 1.131 453 W HN 0.092 nan 8.180 nan 0.000 0.520 454 E N 0.789 120.885 120.200 -0.175 0.000 2.118 454 E HA -0.267 4.085 4.350 0.003 0.000 0.195 454 E C 2.279 178.739 176.600 -0.233 0.000 0.992 454 E CA 1.989 58.212 56.400 -0.295 0.000 0.804 454 E CB -0.528 29.095 29.700 -0.128 0.000 0.741 454 E HN 0.292 nan 8.360 nan 0.000 0.458 455 R N 0.382 120.801 120.500 -0.135 0.000 2.083 455 R HA -0.194 4.148 4.340 0.003 0.000 0.237 455 R C 2.124 178.367 176.300 -0.095 0.000 1.137 455 R CA 2.003 58.052 56.100 -0.084 0.000 0.951 455 R CB -0.241 30.039 30.300 -0.033 0.000 0.851 455 R HN 0.263 nan 8.270 nan 0.000 0.434 456 E N -0.119 120.022 120.200 -0.098 0.000 2.047 456 E HA -0.168 4.184 4.350 0.003 0.000 0.191 456 E C 2.280 178.783 176.600 -0.161 0.000 0.987 456 E CA 1.139 57.496 56.400 -0.071 0.000 0.799 456 E CB -0.066 29.649 29.700 0.025 0.000 0.752 456 E HN 0.346 nan 8.360 nan 0.000 0.449 457 R N 0.685 120.978 120.500 -0.344 0.000 2.117 457 R HA -0.197 4.144 4.340 0.003 0.000 0.243 457 R C 2.289 178.452 176.300 -0.229 0.000 1.143 457 R CA 1.355 57.223 56.100 -0.387 0.000 0.968 457 R CB -0.167 29.723 30.300 -0.683 0.000 0.863 457 R HN 0.091 nan 8.270 nan 0.000 0.444 458 E N 1.279 121.366 120.200 -0.189 0.000 2.007 458 E HA -0.160 4.192 4.350 0.003 0.000 0.194 458 E C 1.786 178.335 176.600 -0.084 0.000 0.999 458 E CA 1.448 57.776 56.400 -0.121 0.000 0.811 458 E CB -0.327 29.316 29.700 -0.095 0.000 0.762 458 E HN 0.222 nan 8.360 nan 0.000 0.450 459 I N 0.670 121.199 120.570 -0.068 0.000 2.181 459 I HA -0.327 3.845 4.170 0.003 0.000 0.247 459 I C 2.639 178.731 176.117 -0.041 0.000 1.081 459 I CA 1.483 62.758 61.300 -0.042 0.000 1.340 459 I CB -0.440 37.544 38.000 -0.027 0.000 1.036 459 I HN 0.253 nan 8.210 nan 0.000 0.417 460 L N 0.655 121.843 121.223 -0.058 0.000 2.017 460 L HA -0.211 4.131 4.340 0.003 0.000 0.208 460 L C 2.791 179.634 176.870 -0.045 0.000 1.073 460 L CA 1.537 56.348 54.840 -0.049 0.000 0.745 460 L CB -0.329 41.692 42.059 -0.063 0.000 0.894 460 L HN 0.064 nan 8.230 nan 0.000 0.432 461 R N -0.214 120.248 120.500 -0.063 0.000 2.127 461 R HA -0.183 4.159 4.340 0.003 0.000 0.238 461 R C 2.252 178.539 176.300 -0.022 0.000 1.134 461 R CA 1.766 57.839 56.100 -0.045 0.000 0.975 461 R CB -0.112 30.151 30.300 -0.062 0.000 0.865 461 R HN 0.462 nan 8.270 nan 0.000 0.447 462 K N 0.490 120.874 120.400 -0.026 0.000 1.984 462 K HA -0.135 4.186 4.320 0.003 0.000 0.209 462 K C 2.119 178.716 176.600 -0.006 0.000 1.046 462 K CA 1.177 57.455 56.287 -0.014 0.000 0.934 462 K CB -0.366 32.122 32.500 -0.019 0.000 0.717 462 K HN 0.104 nan 8.250 nan 0.000 0.438 463 L N 1.707 122.922 121.223 -0.012 0.000 2.021 463 L HA -0.294 4.047 4.340 0.003 0.000 0.215 463 L C 2.438 179.298 176.870 -0.017 0.000 1.074 463 L CA 1.589 56.422 54.840 -0.012 0.000 0.760 463 L CB -0.174 41.877 42.059 -0.013 0.000 0.889 463 L HN 0.139 nan 8.230 nan 0.000 0.433 464 R N -0.458 120.033 120.500 -0.016 0.000 2.117 464 R HA -0.259 4.082 4.340 0.003 0.000 0.243 464 R C 2.240 178.550 176.300 0.017 0.000 1.143 464 R CA 1.964 58.045 56.100 -0.032 0.000 0.968 464 R CB -0.507 29.797 30.300 0.007 0.000 0.863 464 R HN 0.587 nan 8.270 nan 0.000 0.444 465 E N 0.629 120.873 120.200 0.074 0.000 2.017 465 E HA -0.218 4.133 4.350 0.003 0.000 0.193 465 E C 2.051 178.702 176.600 0.085 0.000 0.997 465 E CA 1.208 57.680 56.400 0.120 0.000 0.804 465 E CB -0.086 29.646 29.700 0.054 0.000 0.757 465 E HN 0.351 nan 8.360 nan 0.000 0.448 466 A N 1.176 124.014 122.820 0.030 0.000 1.869 466 A HA -0.345 3.977 4.320 0.003 0.000 0.218 466 A C 2.109 179.697 177.584 0.005 0.000 1.203 466 A CA 2.333 54.379 52.037 0.015 0.000 0.638 466 A CB -1.009 17.991 19.000 0.000 0.000 0.831 466 A HN 0.440 nan 8.150 nan 0.000 0.450 467 Q N -1.485 118.292 119.800 -0.039 0.000 2.133 467 Q HA -0.262 4.079 4.340 0.003 0.000 0.208 467 Q C 2.097 178.047 176.000 -0.084 0.000 0.991 467 Q CA 1.717 57.468 55.803 -0.087 0.000 0.867 467 Q CB -0.468 28.171 28.738 -0.165 0.000 0.911 467 Q HN 0.791 nan 8.270 nan 0.000 0.417 468 H N 0.413 119.478 119.070 -0.008 0.000 2.387 468 H HA -0.014 4.543 4.556 0.002 0.000 0.299 468 H C 2.190 177.513 175.328 -0.009 0.000 1.090 468 H CA 1.281 57.322 56.048 -0.013 0.000 1.332 468 H CB 0.103 29.851 29.762 -0.023 0.000 1.386 468 H HN 0.227 nan 8.280 nan 0.000 0.516 469 R N 0.004 120.571 120.500 0.111 0.000 2.061 469 R HA -0.111 4.230 4.340 0.003 0.000 0.230 469 R C 2.387 178.711 176.300 0.040 0.000 1.140 469 R CA 1.026 57.161 56.100 0.059 0.000 0.940 469 R CB -0.547 29.775 30.300 0.037 0.000 0.839 469 R HN 0.090 nan 8.270 nan 0.000 0.429 470 L N 1.807 123.046 121.223 0.027 0.000 2.089 470 L HA -0.246 4.096 4.340 0.003 0.000 0.213 470 L C 1.739 178.622 176.870 0.022 0.000 1.079 470 L CA 1.995 56.845 54.840 0.017 0.000 0.758 470 L CB -0.679 41.384 42.059 0.007 0.000 0.891 470 L HN 0.176 nan 8.230 nan 0.000 0.433 471 D N -0.910 119.507 120.400 0.028 0.000 2.091 471 D HA -0.222 4.420 4.640 0.003 0.000 0.199 471 D C 2.072 178.395 176.300 0.038 0.000 0.980 471 D CA 1.259 55.280 54.000 0.034 0.000 0.831 471 D CB 0.003 40.830 40.800 0.046 0.000 0.987 471 D HN 0.427 nan 8.370 nan 0.000 0.460 472 E N 0.110 120.339 120.200 0.048 0.000 2.118 472 E HA -0.119 4.233 4.350 0.003 0.000 0.195 472 E C 2.110 178.725 176.600 0.026 0.000 0.992 472 E CA 0.898 57.319 56.400 0.036 0.000 0.804 472 E CB -0.429 29.292 29.700 0.034 0.000 0.741 472 E HN 0.168 nan 8.360 nan 0.000 0.458 473 V N 0.593 120.522 119.914 0.025 0.000 2.515 473 V HA -0.191 3.931 4.120 0.003 0.000 0.250 473 V C 2.362 178.467 176.094 0.019 0.000 1.058 473 V CA 1.975 64.287 62.300 0.020 0.000 1.064 473 V CB -0.426 31.407 31.823 0.018 0.000 0.675 473 V HN 0.244 nan 8.190 nan 0.000 0.461 474 R N -0.381 120.131 120.500 0.020 0.000 2.073 474 R HA -0.082 4.260 4.340 0.003 0.000 0.229 474 R C 2.545 178.853 176.300 0.014 0.000 1.120 474 R CA 1.270 57.380 56.100 0.017 0.000 0.967 474 R CB -0.328 29.983 30.300 0.018 0.000 0.862 474 R HN 0.388 nan 8.270 nan 0.000 0.436 475 R N 1.117 121.627 120.500 0.017 0.000 2.081 475 R HA -0.182 4.160 4.340 0.003 0.000 0.235 475 R C 1.854 178.161 176.300 0.012 0.000 1.131 475 R CA 1.666 57.774 56.100 0.014 0.000 0.960 475 R CB -0.035 30.274 30.300 0.016 0.000 0.856 475 R HN 0.049 nan 8.270 nan 0.000 0.436 476 E N 0.738 120.947 120.200 0.015 0.000 2.055 476 E HA -0.234 4.118 4.350 0.003 0.000 0.209 476 E C 1.855 178.462 176.600 0.013 0.000 1.036 476 E CA 2.281 58.690 56.400 0.016 0.000 0.849 476 E CB -0.312 29.399 29.700 0.017 0.000 0.767 476 E HN 0.358 nan 8.360 nan 0.000 0.461 477 I N 0.284 120.861 120.570 0.012 0.000 2.052 477 I HA -0.327 3.845 4.170 0.003 0.000 0.235 477 I C 2.604 178.718 176.117 -0.004 0.000 1.046 477 I CA 1.870 63.175 61.300 0.007 0.000 1.308 477 I CB -0.566 37.440 38.000 0.009 0.000 1.031 477 I HN 0.298 nan 8.210 nan 0.000 0.395 478 E N 0.833 121.029 120.200 -0.006 0.000 2.169 478 E HA -0.311 4.040 4.350 0.003 0.000 0.202 478 E C 2.149 178.738 176.600 -0.019 0.000 1.016 478 E CA 1.682 58.072 56.400 -0.016 0.000 0.817 478 E CB -0.160 29.534 29.700 -0.009 0.000 0.736 478 E HN 0.325 nan 8.360 nan 0.000 0.462 479 L N 0.128 121.347 121.223 -0.006 0.000 2.265 479 L HA -0.076 4.266 4.340 0.003 0.000 0.215 479 L C 1.985 178.854 176.870 -0.001 0.000 1.117 479 L CA 1.965 56.805 54.840 -0.000 0.000 0.782 479 L CB -0.391 41.674 42.059 0.011 0.000 0.914 479 L HN 0.185 nan 8.230 nan 0.000 0.441 480 A N -0.914 121.903 122.820 -0.006 0.000 1.903 480 A HA -0.052 4.269 4.320 0.003 0.000 0.213 480 A C 1.790 179.343 177.584 -0.051 0.000 1.185 480 A CA 0.730 52.763 52.037 -0.005 0.000 0.628 480 A CB -0.475 18.527 19.000 0.004 0.000 0.830 480 A HN 0.540 nan 8.150 nan 0.000 0.446 481 E N -0.240 119.911 120.200 -0.082 0.000 2.385 481 E HA 0.000 4.352 4.350 0.003 0.000 0.201 481 E C 1.057 177.520 176.600 -0.228 0.000 1.250 481 E CA 0.033 56.333 56.400 -0.168 0.000 1.104 481 E CB -0.042 29.583 29.700 -0.125 0.000 1.174 481 E HN 0.483 nan 8.360 nan 0.000 0.461 482 R N -0.730 119.674 120.500 -0.159 0.000 2.622 482 R HA 0.071 4.412 4.340 0.003 0.000 0.180 482 R C 1.496 177.825 176.300 0.048 0.000 0.813 482 R CA 0.130 56.174 56.100 -0.093 0.000 1.049 482 R CB 0.255 30.542 30.300 -0.022 0.000 1.438 482 R HN 0.073 nan 8.270 nan 0.000 0.636 483 Q N -0.047 119.802 119.800 0.081 0.000 2.444 483 Q HA 0.048 4.389 4.340 0.003 0.000 0.206 483 Q C -0.508 175.682 176.000 0.316 0.000 0.948 483 Q CA 0.367 56.280 55.803 0.183 0.000 0.946 483 Q CB 0.234 29.035 28.738 0.106 0.000 1.027 483 Q HN 0.260 nan 8.270 nan 0.000 0.513 484 Y N -0.569 119.739 120.300 0.012 0.000 4.916 484 Y HA -0.291 4.261 4.550 0.003 0.000 0.247 484 Y C 0.414 176.323 175.900 0.015 0.000 0.962 484 Y CA 1.027 59.134 58.100 0.012 0.000 1.933 484 Y CB -1.617 36.848 38.460 0.009 0.000 1.451 484 Y HN 0.257 nan 8.280 nan 0.000 0.539 485 D N 1.604 122.086 120.400 0.136 0.000 2.606 485 D HA 0.008 4.650 4.640 0.003 0.000 0.234 485 D C 1.210 177.548 176.300 0.063 0.000 1.140 485 D CA 0.085 54.139 54.000 0.091 0.000 1.182 485 D CB -0.011 40.832 40.800 0.073 0.000 1.130 485 D HN 0.321 nan 8.370 nan 0.000 0.485 486 L N 3.401 124.665 121.223 0.068 0.000 2.189 486 L HA -0.207 4.134 4.340 0.003 0.000 0.214 486 L C 1.997 178.892 176.870 0.042 0.000 1.097 486 L CA 1.120 55.987 54.840 0.045 0.000 0.764 486 L CB -1.028 41.062 42.059 0.050 0.000 0.900 486 L HN 0.397 nan 8.230 nan 0.000 0.436 487 N N 0.051 118.779 118.700 0.046 0.000 2.003 487 N HA -0.260 4.482 4.740 0.003 0.000 0.198 487 N C 1.934 177.468 175.510 0.040 0.000 1.073 487 N CA 2.169 55.244 53.050 0.042 0.000 0.875 487 N CB -0.108 38.404 38.487 0.041 0.000 1.074 487 N HN 0.189 nan 8.380 nan 0.000 0.435 488 R N -0.179 120.343 120.500 0.038 0.000 2.154 488 R HA -0.190 4.151 4.340 0.003 0.000 0.236 488 R C 2.344 178.665 176.300 0.034 0.000 1.121 488 R CA 1.868 57.988 56.100 0.034 0.000 0.915 488 R CB -1.122 29.198 30.300 0.033 0.000 0.856 488 R HN 0.464 nan 8.270 nan 0.000 0.431 489 A N 1.214 124.051 122.820 0.029 0.000 2.023 489 A HA -0.286 4.036 4.320 0.003 0.000 0.223 489 A C 2.349 179.955 177.584 0.037 0.000 1.180 489 A CA 2.156 54.207 52.037 0.023 0.000 0.659 489 A CB -0.823 18.181 19.000 0.007 0.000 0.817 489 A HN 0.546 nan 8.150 nan 0.000 0.466 490 A N 0.605 123.452 122.820 0.046 0.000 1.825 490 A HA -0.175 4.147 4.320 0.003 0.000 0.214 490 A C 1.968 179.611 177.584 0.098 0.000 1.206 490 A CA 1.730 53.809 52.037 0.070 0.000 0.609 490 A CB -0.877 18.163 19.000 0.067 0.000 0.851 490 A HN 0.779 nan 8.150 nan 0.000 0.445 491 E N 0.278 120.523 120.200 0.074 0.000 2.219 491 E HA -0.193 4.159 4.350 0.003 0.000 0.198 491 E C 1.853 178.477 176.600 0.040 0.000 0.998 491 E CA 1.359 57.792 56.400 0.055 0.000 0.818 491 E CB -0.544 29.174 29.700 0.030 0.000 0.741 491 E HN 0.622 nan 8.360 nan 0.000 0.477 492 L N 0.487 121.735 121.223 0.043 0.000 1.982 492 L HA -0.073 4.269 4.340 0.003 0.000 0.206 492 L C 3.065 179.964 176.870 0.048 0.000 1.078 492 L CA 1.574 56.434 54.840 0.033 0.000 0.749 492 L CB -0.675 41.401 42.059 0.028 0.000 0.894 492 L HN 0.112 nan 8.230 nan 0.000 0.436 493 R N -0.524 120.015 120.500 0.065 0.000 2.117 493 R HA -0.214 4.128 4.340 0.003 0.000 0.243 493 R C 0.214 176.606 176.300 0.153 0.000 1.143 493 R CA 1.373 57.523 56.100 0.083 0.000 0.968 493 R CB -0.068 30.272 30.300 0.067 0.000 0.863 493 R HN 0.214 nan 8.270 nan 0.000 0.444 494 Y N -0.375 119.925 120.300 0.001 0.000 2.328 494 Y HA 0.420 4.972 4.550 0.002 0.000 0.333 494 Y C 0.521 176.423 175.900 0.003 0.000 0.958 494 Y CA -0.078 58.023 58.100 0.002 0.000 1.167 494 Y CB 1.512 39.973 38.460 0.002 0.000 1.151 494 Y HN 0.354 nan 8.280 nan 0.000 0.470 495 G N 4.797 113.426 108.800 -0.284 0.000 3.349 495 G HA2 -0.253 3.708 3.960 0.003 0.000 0.202 495 G HA3 -0.253 3.708 3.960 0.003 0.000 0.202 495 G C 1.071 175.901 174.900 -0.117 0.000 1.588 495 G CA 0.239 45.180 45.100 -0.266 0.000 1.198 495 G HN 0.463 nan 8.290 nan 0.000 0.588 496 E N 0.477 120.644 120.200 -0.056 0.000 1.998 496 E HA -0.013 4.338 4.350 0.003 0.000 0.196 496 E C 2.601 179.191 176.600 -0.015 0.000 1.003 496 E CA 1.434 57.818 56.400 -0.026 0.000 0.829 496 E CB -0.593 29.104 29.700 -0.005 0.000 0.777 496 E HN 0.533 nan 8.360 nan 0.000 0.460 497 L N 1.874 123.099 121.223 0.003 0.000 2.051 497 L HA -0.159 4.182 4.340 0.003 0.000 0.214 497 L C -0.989 175.885 176.870 0.006 0.000 1.076 497 L CA 2.187 57.034 54.840 0.012 0.000 0.758 497 L CB -1.617 40.459 42.059 0.028 0.000 0.890 497 L HN 0.033 nan 8.230 nan 0.000 0.433 498 P HA -0.196 nan 4.420 nan 0.000 0.213 498 P C 1.516 178.806 177.300 -0.017 0.000 1.170 498 P CA 1.869 64.965 63.100 -0.007 0.000 0.902 498 P CB -0.044 31.632 31.700 -0.040 0.000 0.789 499 K N -0.493 119.888 120.400 -0.033 0.000 1.969 499 K HA -0.135 4.186 4.320 0.003 0.000 0.216 499 K C 2.163 178.754 176.600 -0.014 0.000 1.048 499 K CA 1.448 57.719 56.287 -0.027 0.000 0.948 499 K CB -1.176 31.304 32.500 -0.034 0.000 0.726 499 K HN 0.064 nan 8.250 nan 0.000 0.442 500 L N 1.105 122.322 121.223 -0.011 0.000 2.064 500 L HA -0.298 4.044 4.340 0.003 0.000 0.216 500 L C 2.605 179.475 176.870 -0.001 0.000 1.077 500 L CA 1.575 56.413 54.840 -0.004 0.000 0.766 500 L CB -0.482 41.578 42.059 0.001 0.000 0.890 500 L HN 0.393 nan 8.230 nan 0.000 0.435 501 E N -0.411 119.790 120.200 0.001 0.000 2.268 501 E HA -0.186 4.165 4.350 0.003 0.000 0.195 501 E C 2.039 178.640 176.600 0.003 0.000 0.995 501 E CA 0.928 57.330 56.400 0.004 0.000 0.836 501 E CB 0.111 29.817 29.700 0.009 0.000 0.763 501 E HN 0.515 nan 8.360 nan 0.000 0.491 502 A N 0.487 123.306 122.820 -0.001 0.000 1.997 502 A HA -0.052 4.270 4.320 0.003 0.000 0.212 502 A C 1.928 179.511 177.584 -0.003 0.000 1.178 502 A CA 0.704 52.740 52.037 -0.001 0.000 0.698 502 A CB -0.181 18.817 19.000 -0.004 0.000 0.842 502 A HN 0.303 nan 8.150 nan 0.000 0.458 503 E N -0.018 120.179 120.200 -0.004 0.000 2.031 503 E HA -0.159 4.193 4.350 0.003 0.000 0.193 503 E C 1.912 178.510 176.600 -0.003 0.000 0.994 503 E CA 1.645 58.042 56.400 -0.005 0.000 0.800 503 E CB -0.178 29.519 29.700 -0.006 0.000 0.752 503 E HN 0.288 nan 8.360 nan 0.000 0.447 504 V N 1.143 121.055 119.914 -0.003 0.000 2.307 504 V HA -0.176 3.945 4.120 0.003 0.000 0.245 504 V C 2.237 178.330 176.094 -0.001 0.000 1.045 504 V CA 2.141 64.438 62.300 -0.004 0.000 1.024 504 V CB -0.285 31.535 31.823 -0.006 0.000 0.651 504 V HN 0.305 nan 8.190 nan 0.000 0.449 505 E N 0.015 120.215 120.200 0.001 0.000 2.268 505 E HA -0.099 4.253 4.350 0.003 0.000 0.195 505 E C 2.070 178.672 176.600 0.003 0.000 0.995 505 E CA 1.261 57.663 56.400 0.003 0.000 0.836 505 E CB -0.133 29.569 29.700 0.004 0.000 0.763 505 E HN 0.719 nan 8.360 nan 0.000 0.491 506 A N 0.593 123.414 122.820 0.001 0.000 1.840 506 A HA -0.070 4.251 4.320 0.003 0.000 0.214 506 A C 2.375 179.960 177.584 0.002 0.000 1.198 506 A CA 0.820 52.858 52.037 0.001 0.000 0.608 506 A CB -0.696 18.303 19.000 -0.001 0.000 0.839 506 A HN 0.245 nan 8.150 nan 0.000 0.443 507 L N -0.068 121.154 121.223 -0.000 0.000 2.046 507 L HA -0.187 4.155 4.340 0.003 0.000 0.208 507 L C 2.887 179.759 176.870 0.003 0.000 1.077 507 L CA 1.424 56.263 54.840 -0.000 0.000 0.747 507 L CB -0.617 41.440 42.059 -0.004 0.000 0.896 507 L HN 0.349 nan 8.230 nan 0.000 0.432 508 S N -0.184 115.519 115.700 0.004 0.000 2.359 508 S HA -0.316 4.155 4.470 0.003 0.000 0.222 508 S C 1.892 176.498 174.600 0.009 0.000 1.038 508 S CA 1.970 60.175 58.200 0.007 0.000 1.051 508 S CB -0.389 62.816 63.200 0.007 0.000 0.944 508 S HN 0.470 nan 8.310 nan 0.000 0.433 509 E N 0.937 121.142 120.200 0.008 0.000 2.160 509 E HA -0.209 4.143 4.350 0.003 0.000 0.195 509 E C 1.756 178.362 176.600 0.010 0.000 0.991 509 E CA 1.075 57.480 56.400 0.009 0.000 0.810 509 E CB -0.053 29.651 29.700 0.007 0.000 0.742 509 E HN 0.211 nan 8.360 nan 0.000 0.466 510 K N 0.166 120.571 120.400 0.009 0.000 2.519 510 K HA -0.037 4.284 4.320 0.003 0.000 0.196 510 K C 1.017 177.627 176.600 0.017 0.000 1.041 510 K CA 0.661 56.954 56.287 0.011 0.000 0.954 510 K CB 0.119 32.623 32.500 0.007 0.000 0.774 510 K HN 0.204 nan 8.250 nan 0.000 0.480 511 L N -0.409 120.825 121.223 0.018 0.000 3.014 511 L HA 0.254 4.596 4.340 0.003 0.000 0.263 511 L C 0.966 177.852 176.870 0.026 0.000 1.207 511 L CA -0.230 54.627 54.840 0.027 0.000 1.017 511 L CB 0.154 42.230 42.059 0.029 0.000 1.360 511 L HN 0.021 nan 8.230 nan 0.000 0.560 512 R N 1.140 121.652 120.500 0.019 0.000 2.261 512 R HA -0.051 4.290 4.340 0.003 0.000 0.236 512 R C 0.870 177.180 176.300 0.016 0.000 1.141 512 R CA 0.961 57.070 56.100 0.015 0.000 1.001 512 R CB 0.006 30.313 30.300 0.011 0.000 0.866 512 R HN 0.309 nan 8.270 nan 0.000 0.468 513 G N -0.434 108.379 108.800 0.022 0.000 2.683 513 G HA2 0.614 4.575 3.960 0.003 0.000 0.299 513 G HA3 0.614 4.575 3.960 0.003 0.000 0.299 513 G C -1.564 173.359 174.900 0.039 0.000 1.432 513 G CA -0.302 44.811 45.100 0.021 0.000 0.978 513 G HN 0.151 nan 8.290 nan 0.000 0.513 514 A N 3.006 125.848 122.820 0.037 0.000 2.497 514 A HA 0.567 4.889 4.320 0.003 0.000 0.280 514 A C 0.690 178.287 177.584 0.021 0.000 1.065 514 A CA -0.651 51.432 52.037 0.077 0.000 0.781 514 A CB 1.123 20.184 19.000 0.102 0.000 1.289 514 A HN 0.753 nan 8.150 nan 0.000 0.415 515 R N 1.282 121.767 120.500 -0.025 0.000 2.285 515 R HA 0.062 4.404 4.340 0.003 0.000 0.213 515 R C -0.542 175.311 176.300 -0.745 0.000 1.068 515 R CA 1.624 57.488 56.100 -0.395 0.000 1.004 515 R CB -0.080 29.916 30.300 -0.505 0.000 0.873 515 R HN 0.685 nan 8.270 nan 0.000 0.467 516 F N -1.297 118.725 119.950 0.121 0.000 2.856 516 F HA 0.323 4.851 4.527 0.002 0.000 0.333 516 F C -0.780 175.157 175.800 0.227 0.000 1.200 516 F CA -0.558 57.549 58.000 0.178 0.000 1.128 516 F CB 1.194 40.392 39.000 0.330 0.000 1.172 516 F HN -0.307 nan 8.300 nan 0.000 0.511 517 V N 0.569 120.640 119.914 0.260 0.000 3.120 517 V HA 0.573 4.695 4.120 0.003 0.000 0.303 517 V C -1.095 175.063 176.094 0.106 0.000 1.238 517 V CA -1.053 61.365 62.300 0.197 0.000 1.008 517 V CB 3.314 35.246 31.823 0.181 0.000 1.064 517 V HN 0.194 nan 8.190 nan 0.000 0.434 518 R N 2.430 122.982 120.500 0.086 0.000 2.772 518 R HA 0.330 4.672 4.340 0.003 0.000 0.288 518 R C -0.745 175.584 176.300 0.048 0.000 1.365 518 R CA -0.517 55.614 56.100 0.052 0.000 1.023 518 R CB 1.192 31.515 30.300 0.037 0.000 1.261 518 R HN 0.642 nan 8.270 nan 0.000 0.422 519 L N 1.764 123.012 121.223 0.041 0.000 2.552 519 L HA 0.205 4.546 4.340 0.003 0.000 0.227 519 L C 0.269 177.156 176.870 0.030 0.000 1.146 519 L CA 1.242 56.104 54.840 0.037 0.000 0.858 519 L CB -0.050 42.028 42.059 0.031 0.000 0.969 519 L HN 0.519 nan 8.230 nan 0.000 0.451 520 E N -0.193 120.021 120.200 0.023 0.000 2.331 520 E HA 0.249 4.600 4.350 0.003 0.000 0.272 520 E C -0.843 175.762 176.600 0.008 0.000 1.036 520 E CA -0.197 56.212 56.400 0.015 0.000 0.864 520 E CB 1.874 31.580 29.700 0.010 0.000 1.035 520 E HN -0.174 nan 8.360 nan 0.000 0.408 521 V N 3.286 123.202 119.914 0.003 0.000 2.378 521 V HA 0.298 4.420 4.120 0.003 0.000 0.288 521 V C 0.482 176.567 176.094 -0.016 0.000 1.016 521 V CA -0.526 61.767 62.300 -0.010 0.000 0.840 521 V CB 1.393 33.209 31.823 -0.011 0.000 0.994 521 V HN 0.810 nan 8.190 nan 0.000 0.431 522 T N 0.328 114.868 114.554 -0.022 0.000 2.807 522 T HA 0.473 4.825 4.350 0.003 0.000 0.277 522 T C 0.879 175.558 174.700 -0.034 0.000 1.006 522 T CA -0.615 61.470 62.100 -0.024 0.000 1.006 522 T CB 1.747 70.604 68.868 -0.019 0.000 1.274 522 T HN 0.476 nan 8.240 nan 0.000 0.569 523 E N 0.604 120.786 120.200 -0.031 0.000 2.049 523 E HA -0.211 4.140 4.350 0.003 0.000 0.198 523 E C 2.013 178.584 176.600 -0.048 0.000 1.007 523 E CA 1.824 58.202 56.400 -0.037 0.000 0.809 523 E CB -0.200 29.484 29.700 -0.028 0.000 0.749 523 E HN 0.732 nan 8.360 nan 0.000 0.450 524 E N 0.958 121.133 120.200 -0.041 0.000 2.065 524 E HA -0.246 4.106 4.350 0.003 0.000 0.201 524 E C 1.928 178.493 176.600 -0.057 0.000 1.016 524 E CA 1.525 57.898 56.400 -0.046 0.000 0.818 524 E CB -0.186 29.493 29.700 -0.036 0.000 0.749 524 E HN 0.310 nan 8.360 nan 0.000 0.453 525 D N 0.600 120.968 120.400 -0.053 0.000 2.116 525 D HA -0.181 4.461 4.640 0.003 0.000 0.193 525 D C 2.070 178.314 176.300 -0.092 0.000 0.998 525 D CA 1.026 54.988 54.000 -0.062 0.000 0.836 525 D CB -0.113 40.656 40.800 -0.051 0.000 0.951 525 D HN 0.138 nan 8.370 nan 0.000 0.449 526 I N 1.630 122.145 120.570 -0.093 0.000 2.090 526 I HA -0.210 3.962 4.170 0.003 0.000 0.236 526 I C 2.789 178.816 176.117 -0.149 0.000 1.064 526 I CA 0.758 61.983 61.300 -0.125 0.000 1.324 526 I CB -1.493 36.449 38.000 -0.096 0.000 1.044 526 I HN -0.112 nan 8.210 nan 0.000 0.399 527 A N 0.548 123.301 122.820 -0.112 0.000 1.971 527 A HA -0.274 4.048 4.320 0.003 0.000 0.222 527 A C 2.235 179.738 177.584 -0.134 0.000 1.182 527 A CA 2.175 54.144 52.037 -0.114 0.000 0.649 527 A CB -0.793 18.156 19.000 -0.086 0.000 0.818 527 A HN 0.563 nan 8.150 nan 0.000 0.458 528 E N -0.309 119.819 120.200 -0.120 0.000 2.017 528 E HA -0.181 4.171 4.350 0.003 0.000 0.193 528 E C 2.047 178.549 176.600 -0.163 0.000 0.997 528 E CA 1.490 57.824 56.400 -0.111 0.000 0.804 528 E CB -0.479 29.173 29.700 -0.080 0.000 0.757 528 E HN 0.891 nan 8.360 nan 0.000 0.448 529 I N -1.022 119.415 120.570 -0.223 0.000 2.423 529 I HA -0.191 3.981 4.170 0.003 0.000 0.254 529 I C 2.064 177.779 176.117 -0.670 0.000 1.151 529 I CA 0.904 61.982 61.300 -0.370 0.000 1.421 529 I CB -0.289 37.479 38.000 -0.387 0.000 1.079 529 I HN -0.093 nan 8.210 nan 0.000 0.431 530 V N 0.748 120.373 119.914 -0.480 0.000 2.407 530 V HA -0.206 3.915 4.120 0.003 0.000 0.245 530 V C 2.825 178.791 176.094 -0.213 0.000 1.041 530 V CA 2.044 64.090 62.300 -0.422 0.000 1.040 530 V CB -0.549 31.135 31.823 -0.232 0.000 0.671 530 V HN 0.591 nan 8.190 nan 0.000 0.455 531 S N -0.216 115.391 115.700 -0.156 0.000 2.382 531 S HA -0.215 4.257 4.470 0.003 0.000 0.228 531 S C 2.148 176.746 174.600 -0.003 0.000 1.027 531 S CA 1.484 59.640 58.200 -0.074 0.000 0.991 531 S CB -0.303 62.853 63.200 -0.074 0.000 0.823 531 S HN 0.540 nan 8.310 nan 0.000 0.469 532 R N -0.767 119.723 120.500 -0.018 0.000 2.200 532 R HA -0.084 4.258 4.340 0.003 0.000 0.234 532 R C 1.037 177.560 176.300 0.372 0.000 1.127 532 R CA 1.464 57.642 56.100 0.130 0.000 0.989 532 R CB -0.162 30.213 30.300 0.126 0.000 0.869 532 R HN 0.533 nan 8.270 nan 0.000 0.459 533 W N -0.889 120.412 121.300 0.001 0.000 3.220 533 W HA 0.281 4.942 4.660 0.002 0.000 0.328 533 W C 0.742 177.264 176.519 0.005 0.000 1.205 533 W CA -0.232 57.117 57.345 0.007 0.000 1.773 533 W CB 0.044 29.512 29.460 0.013 0.000 1.086 533 W HN -0.047 nan 8.180 nan 0.000 0.622 534 T N -1.687 112.980 114.554 0.189 0.000 2.931 534 T HA 0.572 4.924 4.350 0.003 0.000 0.125 534 T C 0.044 174.773 174.700 0.048 0.000 0.794 534 T CA 0.306 62.468 62.100 0.104 0.000 0.708 534 T CB 1.152 70.067 68.868 0.078 0.000 2.018 534 T HN -0.175 nan 8.240 nan 0.000 0.312 535 G N 1.166 109.965 108.800 -0.001 0.000 2.750 535 G HA2 0.545 4.507 3.960 0.003 0.000 0.298 535 G HA3 0.545 4.507 3.960 0.003 0.000 0.298 535 G C -0.659 174.210 174.900 -0.053 0.000 1.412 535 G CA -0.436 44.654 45.100 -0.016 0.000 1.078 535 G HN 1.418 nan 8.290 nan 0.000 0.573 536 I N -0.795 119.751 120.570 -0.040 0.000 8.240 536 I HA -0.160 4.012 4.170 0.003 0.000 0.126 536 I C -2.299 173.773 176.117 -0.075 0.000 1.791 536 I CA -0.462 60.808 61.300 -0.050 0.000 2.143 536 I CB -0.450 37.523 38.000 -0.045 0.000 3.682 536 I HN 0.370 nan 8.210 nan 0.000 0.201 537 P HA -0.041 nan 4.420 nan 0.000 0.223 537 P C 1.802 179.061 177.300 -0.069 0.000 1.151 537 P CA 0.910 63.965 63.100 -0.076 0.000 0.787 537 P CB 0.237 31.900 31.700 -0.060 0.000 0.788 538 V N 0.260 120.142 119.914 -0.054 0.000 2.370 538 V HA -0.289 3.832 4.120 0.003 0.000 0.252 538 V C 2.359 178.421 176.094 -0.054 0.000 1.068 538 V CA 2.612 64.885 62.300 -0.045 0.000 1.061 538 V CB -1.504 30.299 31.823 -0.034 0.000 0.656 538 V HN 0.340 nan 8.190 nan 0.000 0.455 539 S N -1.021 114.635 115.700 -0.075 0.000 2.527 539 S HA 0.021 4.492 4.470 0.003 0.000 0.225 539 S C 1.838 176.362 174.600 -0.127 0.000 1.046 539 S CA 0.246 58.392 58.200 -0.089 0.000 0.929 539 S CB -0.306 62.836 63.200 -0.096 0.000 0.851 539 S HN 0.293 nan 8.310 nan 0.000 0.565 540 K N 1.379 121.665 120.400 -0.189 0.000 2.071 540 K HA -0.096 4.225 4.320 0.003 0.000 0.217 540 K C 1.671 178.191 176.600 -0.134 0.000 1.054 540 K CA 1.725 57.864 56.287 -0.247 0.000 0.937 540 K CB -1.003 31.361 32.500 -0.228 0.000 0.719 540 K HN 0.420 nan 8.250 nan 0.000 0.454 541 L N -0.560 120.605 121.223 -0.097 0.000 2.226 541 L HA 0.048 4.390 4.340 0.003 0.000 0.218 541 L C 1.656 178.499 176.870 -0.046 0.000 1.162 541 L CA 0.873 55.676 54.840 -0.062 0.000 2.417 541 L CB -1.225 40.800 42.059 -0.057 0.000 2.139 541 L HN 0.220 nan 8.230 nan 0.000 1.037 542 L N 0.752 121.952 121.223 -0.039 0.000 2.553 542 L HA -0.361 3.980 4.340 0.003 0.000 0.245 542 L C 0.681 177.539 176.870 -0.021 0.000 1.547 542 L CA 2.065 56.888 54.840 -0.028 0.000 0.787 542 L CB -1.413 40.629 42.059 -0.029 0.000 1.226 542 L HN 0.633 nan 8.230 nan 0.000 0.399 543 E N 0.365 120.551 120.200 -0.022 0.000 2.652 543 E HA 0.244 4.595 4.350 0.003 0.000 0.255 543 E C 0.144 176.747 176.600 0.004 0.000 0.952 543 E CA 0.518 56.912 56.400 -0.011 0.000 0.947 543 E CB -0.142 29.549 29.700 -0.014 0.000 0.912 543 E HN 0.559 nan 8.360 nan 0.000 0.489 544 G N 2.210 111.018 108.800 0.013 0.000 2.417 544 G HA2 0.094 4.055 3.960 0.003 0.000 0.334 544 G HA3 0.094 4.055 3.960 0.003 0.000 0.334 544 G C 0.583 175.505 174.900 0.037 0.000 1.150 544 G CA -0.470 44.646 45.100 0.027 0.000 0.923 544 G HN 0.542 nan 8.290 nan 0.000 0.485 545 E N 0.648 120.881 120.200 0.055 0.000 2.108 545 E HA -0.297 4.055 4.350 0.003 0.000 0.203 545 E C 2.546 179.171 176.600 0.042 0.000 1.022 545 E CA 2.355 58.792 56.400 0.061 0.000 0.823 545 E CB -0.052 29.695 29.700 0.077 0.000 0.744 545 E HN 0.665 nan 8.360 nan 0.000 0.456 546 R N 0.223 120.744 120.500 0.035 0.000 2.082 546 R HA -0.167 4.175 4.340 0.003 0.000 0.234 546 R C 2.306 178.617 176.300 0.018 0.000 1.136 546 R CA 1.614 57.729 56.100 0.026 0.000 0.935 546 R CB -0.883 29.430 30.300 0.022 0.000 0.842 546 R HN 0.089 nan 8.270 nan 0.000 0.430 547 E N 1.449 121.657 120.200 0.015 0.000 2.058 547 E HA -0.219 4.133 4.350 0.003 0.000 0.194 547 E C 1.902 178.506 176.600 0.006 0.000 0.997 547 E CA 1.625 58.030 56.400 0.008 0.000 0.801 547 E CB -0.089 29.614 29.700 0.005 0.000 0.746 547 E HN 0.429 nan 8.360 nan 0.000 0.450 548 K N 0.071 120.476 120.400 0.009 0.000 2.026 548 K HA -0.085 4.237 4.320 0.003 0.000 0.208 548 K C 2.475 179.074 176.600 -0.002 0.000 1.048 548 K CA 1.174 57.463 56.287 0.003 0.000 0.929 548 K CB -0.173 32.334 32.500 0.012 0.000 0.713 548 K HN 0.112 nan 8.250 nan 0.000 0.439 549 L N 0.677 121.904 121.223 0.007 0.000 2.201 549 L HA -0.169 4.173 4.340 0.003 0.000 0.212 549 L C 1.979 178.851 176.870 0.004 0.000 1.105 549 L CA 0.339 55.182 54.840 0.005 0.000 0.775 549 L CB -0.159 41.912 42.059 0.019 0.000 0.913 549 L HN 0.187 nan 8.230 nan 0.000 0.440 550 L N -0.842 120.384 121.223 0.005 0.000 2.131 550 L HA -0.057 4.284 4.340 0.003 0.000 0.206 550 L C 2.319 179.190 176.870 0.001 0.000 1.087 550 L CA 1.505 56.348 54.840 0.004 0.000 0.767 550 L CB -0.484 41.578 42.059 0.005 0.000 0.917 550 L HN 0.080 nan 8.230 nan 0.000 0.441 551 R N -0.903 119.596 120.500 -0.001 0.000 2.310 551 R HA 0.048 4.390 4.340 0.003 0.000 0.202 551 R C 1.824 178.120 176.300 -0.006 0.000 0.933 551 R CA -0.147 55.952 56.100 -0.001 0.000 1.054 551 R CB -0.163 30.136 30.300 -0.002 0.000 0.985 551 R HN 0.156 nan 8.270 nan 0.000 0.489 552 L N 2.004 123.219 121.223 -0.014 0.000 2.010 552 L HA -0.279 4.063 4.340 0.003 0.000 0.219 552 L C 1.643 178.491 176.870 -0.038 0.000 1.077 552 L CA 1.985 56.807 54.840 -0.031 0.000 0.773 552 L CB -0.269 41.770 42.059 -0.034 0.000 0.892 552 L HN 0.158 nan 8.230 nan 0.000 0.436 553 E N -0.963 119.225 120.200 -0.021 0.000 2.153 553 E HA -0.225 4.126 4.350 0.003 0.000 0.194 553 E C 1.993 178.629 176.600 0.061 0.000 0.988 553 E CA 1.338 57.733 56.400 -0.009 0.000 0.811 553 E CB -0.105 29.614 29.700 0.032 0.000 0.746 553 E HN 0.656 nan 8.360 nan 0.000 0.466 554 E N 0.726 120.958 120.200 0.052 0.000 2.006 554 E HA -0.180 4.172 4.350 0.003 0.000 0.192 554 E C 2.082 178.712 176.600 0.049 0.000 0.993 554 E CA 0.787 57.227 56.400 0.066 0.000 0.808 554 E CB 0.009 29.726 29.700 0.029 0.000 0.764 554 E HN 0.152 nan 8.360 nan 0.000 0.449 555 E N 0.999 121.204 120.200 0.010 0.000 2.086 555 E HA -0.243 4.109 4.350 0.003 0.000 0.205 555 E C 2.319 178.908 176.600 -0.019 0.000 1.027 555 E CA 1.093 57.490 56.400 -0.006 0.000 0.830 555 E CB -0.565 29.122 29.700 -0.022 0.000 0.751 555 E HN 0.296 nan 8.360 nan 0.000 0.456 556 L N 0.442 121.628 121.223 -0.063 0.000 2.012 556 L HA -0.210 4.132 4.340 0.003 0.000 0.210 556 L C 2.587 179.384 176.870 -0.122 0.000 1.073 556 L CA 1.294 56.060 54.840 -0.123 0.000 0.748 556 L CB -0.605 41.323 42.059 -0.219 0.000 0.891 556 L HN 0.226 nan 8.230 nan 0.000 0.431 557 H N 0.354 119.403 119.070 -0.036 0.000 2.521 557 H HA -0.078 4.480 4.556 0.003 0.000 0.286 557 H C 2.027 177.341 175.328 -0.024 0.000 1.034 557 H CA 0.840 56.867 56.048 -0.035 0.000 1.278 557 H CB 0.110 29.846 29.762 -0.043 0.000 1.386 557 H HN 0.367 nan 8.280 nan 0.000 0.567 558 K N 0.338 120.789 120.400 0.085 0.000 2.283 558 K HA -0.055 4.267 4.320 0.003 0.000 0.202 558 K C 1.754 178.377 176.600 0.039 0.000 1.048 558 K CA 0.819 57.137 56.287 0.050 0.000 0.948 558 K CB 0.348 32.866 32.500 0.029 0.000 0.742 558 K HN 0.247 nan 8.250 nan 0.000 0.458 559 R N -0.429 120.089 120.500 0.030 0.000 2.412 559 R HA 0.148 4.490 4.340 0.003 0.000 0.212 559 R C -0.213 176.104 176.300 0.028 0.000 0.878 559 R CA 0.007 56.121 56.100 0.024 0.000 1.022 559 R CB 1.132 31.438 30.300 0.010 0.000 1.265 559 R HN -0.147 nan 8.270 nan 0.000 0.620 560 V N 2.580 122.506 119.914 0.021 0.000 2.328 560 V HA 0.243 4.365 4.120 0.003 0.000 0.278 560 V C 0.018 176.166 176.094 0.090 0.000 1.021 560 V CA -0.681 61.635 62.300 0.026 0.000 0.838 560 V CB 1.752 33.550 31.823 -0.042 0.000 0.999 560 V HN -0.123 nan 8.190 nan 0.000 0.447 561 V N 5.647 125.610 119.914 0.082 0.000 2.583 561 V HA 0.681 4.802 4.120 0.003 0.000 0.287 561 V C 1.238 177.379 176.094 0.077 0.000 1.051 561 V CA 1.122 63.472 62.300 0.083 0.000 1.010 561 V CB 0.459 32.301 31.823 0.031 0.000 0.988 561 V HN 1.235 nan 8.190 nan 0.000 0.478 562 G N 3.648 112.494 108.800 0.076 0.000 2.566 562 G HA2 -0.278 3.683 3.960 0.003 0.000 0.280 562 G HA3 -0.278 3.683 3.960 0.003 0.000 0.280 562 G C 0.128 175.053 174.900 0.042 0.000 1.225 562 G CA 0.183 45.302 45.100 0.030 0.000 0.966 562 G HN 0.973 nan 8.290 nan 0.000 0.560 563 Q N -0.277 119.484 119.800 -0.066 0.000 2.435 563 Q HA -0.207 4.134 4.340 0.003 0.000 0.286 563 Q C 1.212 177.074 176.000 -0.230 0.000 1.229 563 Q CA 1.641 57.307 55.803 -0.228 0.000 0.884 563 Q CB -1.623 26.903 28.738 -0.353 0.000 1.245 563 Q HN 0.828 nan 8.270 nan 0.000 0.488 564 D N 0.811 121.164 120.400 -0.078 0.000 2.133 564 D HA -0.224 4.417 4.640 0.003 0.000 0.192 564 D C 1.637 177.855 176.300 -0.136 0.000 1.001 564 D CA 1.654 55.644 54.000 -0.017 0.000 0.844 564 D CB 0.033 40.812 40.800 -0.035 0.000 0.944 564 D HN 0.667 nan 8.370 nan 0.000 0.447 565 E N 0.984 121.058 120.200 -0.209 0.000 2.097 565 E HA -0.215 4.137 4.350 0.003 0.000 0.196 565 E C 2.036 178.477 176.600 -0.265 0.000 1.000 565 E CA 1.262 57.524 56.400 -0.230 0.000 0.804 565 E CB -0.010 29.523 29.700 -0.278 0.000 0.740 565 E HN 0.186 nan 8.360 nan 0.000 0.454 566 A N 0.827 123.387 122.820 -0.432 0.000 1.858 566 A HA -0.181 4.140 4.320 0.003 0.000 0.216 566 A C 2.094 179.435 177.584 -0.404 0.000 1.190 566 A CA 1.614 53.303 52.037 -0.581 0.000 0.617 566 A CB -0.661 17.622 19.000 -1.195 0.000 0.827 566 A HN 0.289 nan 8.150 nan 0.000 0.443 567 I N -0.025 120.323 120.570 -0.369 0.000 2.091 567 I HA -0.287 3.885 4.170 0.003 0.000 0.239 567 I C 2.646 178.655 176.117 -0.180 0.000 1.061 567 I CA 1.780 62.902 61.300 -0.297 0.000 1.317 567 I CB -0.618 37.151 38.000 -0.386 0.000 1.031 567 I HN 0.274 nan 8.210 nan 0.000 0.401 568 R N 0.243 120.670 120.500 -0.123 0.000 2.115 568 R HA -0.249 4.093 4.340 0.003 0.000 0.239 568 R C 2.330 178.604 176.300 -0.043 0.000 1.133 568 R CA 1.849 57.911 56.100 -0.064 0.000 0.935 568 R CB -1.000 29.269 30.300 -0.051 0.000 0.853 568 R HN 0.452 nan 8.270 nan 0.000 0.433 569 A N 0.848 123.640 122.820 -0.046 0.000 1.869 569 A HA -0.197 4.124 4.320 0.003 0.000 0.218 569 A C 2.467 180.111 177.584 0.100 0.000 1.203 569 A CA 2.125 54.186 52.037 0.040 0.000 0.638 569 A CB -0.942 18.090 19.000 0.053 0.000 0.831 569 A HN 0.165 nan 8.150 nan 0.000 0.450 570 V N -0.256 119.613 119.914 -0.074 0.000 2.287 570 V HA -0.270 3.852 4.120 0.003 0.000 0.248 570 V C 3.073 179.168 176.094 0.002 0.000 1.053 570 V CA 2.153 64.314 62.300 -0.231 0.000 1.027 570 V CB -1.362 30.138 31.823 -0.539 0.000 0.646 570 V HN 0.681 nan 8.190 nan 0.000 0.447 571 A N -0.080 122.716 122.820 -0.040 0.000 1.865 571 A HA -0.278 4.043 4.320 0.003 0.000 0.217 571 A C 2.051 179.660 177.584 0.041 0.000 1.191 571 A CA 2.129 54.160 52.037 -0.009 0.000 0.623 571 A CB -0.743 18.236 19.000 -0.035 0.000 0.826 571 A HN 0.569 nan 8.150 nan 0.000 0.444 572 D N 0.050 120.479 120.400 0.047 0.000 2.123 572 D HA -0.099 4.542 4.640 0.003 0.000 0.196 572 D C 2.280 178.635 176.300 0.091 0.000 0.992 572 D CA 1.514 55.549 54.000 0.058 0.000 0.833 572 D CB -0.464 40.365 40.800 0.048 0.000 0.954 572 D HN 0.437 nan 8.370 nan 0.000 0.455 573 A N 1.353 124.268 122.820 0.159 0.000 1.865 573 A HA -0.190 4.131 4.320 0.003 0.000 0.217 573 A C 2.420 180.093 177.584 0.148 0.000 1.191 573 A CA 1.207 53.353 52.037 0.182 0.000 0.623 573 A CB -0.870 18.352 19.000 0.369 0.000 0.826 573 A HN 0.194 nan 8.150 nan 0.000 0.444 574 I N -1.102 119.578 120.570 0.183 0.000 2.163 574 I HA -0.296 3.876 4.170 0.003 0.000 0.243 574 I C 2.834 178.999 176.117 0.081 0.000 1.085 574 I CA 1.619 62.998 61.300 0.131 0.000 1.347 574 I CB -0.449 37.615 38.000 0.107 0.000 1.044 574 I HN 0.309 nan 8.210 nan 0.000 0.408 575 R N 0.284 120.823 120.500 0.064 0.000 2.081 575 R HA -0.147 4.194 4.340 0.003 0.000 0.235 575 R C 2.482 178.808 176.300 0.044 0.000 1.131 575 R CA 1.191 57.318 56.100 0.046 0.000 0.960 575 R CB -0.344 29.976 30.300 0.035 0.000 0.856 575 R HN 0.299 nan 8.270 nan 0.000 0.436 576 R N 0.367 120.895 120.500 0.046 0.000 2.152 576 R HA -0.093 4.249 4.340 0.003 0.000 0.232 576 R C 2.060 178.380 176.300 0.033 0.000 1.117 576 R CA 1.187 57.308 56.100 0.035 0.000 0.981 576 R CB -0.081 30.239 30.300 0.034 0.000 0.870 576 R HN 0.204 nan 8.270 nan 0.000 0.451 577 A N 1.394 124.240 122.820 0.043 0.000 1.841 577 A HA -0.073 4.249 4.320 0.003 0.000 0.214 577 A C 1.108 178.718 177.584 0.043 0.000 1.195 577 A CA 0.812 52.873 52.037 0.040 0.000 0.611 577 A CB -0.267 18.767 19.000 0.057 0.000 0.835 577 A HN 0.135 nan 8.150 nan 0.000 0.443 578 R N -2.506 118.026 120.500 0.053 0.000 3.038 578 R HA 0.358 4.700 4.340 0.003 0.000 0.263 578 R C 1.385 177.709 176.300 0.040 0.000 1.208 578 R CA 0.689 56.821 56.100 0.053 0.000 1.116 578 R CB -0.996 29.340 30.300 0.060 0.000 1.045 578 R HN 1.150 nan 8.270 nan 0.000 0.549 579 A N -1.370 121.472 122.820 0.036 0.000 4.284 579 A HA -0.224 4.098 4.320 0.003 0.000 0.264 579 A C 1.174 178.772 177.584 0.023 0.000 0.856 579 A CA 2.532 54.586 52.037 0.028 0.000 1.165 579 A CB -2.147 16.868 19.000 0.025 0.000 1.059 579 A HN 1.742 nan 8.150 nan 0.000 0.803 580 G N -2.820 105.995 108.800 0.025 0.000 2.324 580 G HA2 0.014 3.976 3.960 0.003 0.000 0.292 580 G HA3 0.014 3.976 3.960 0.003 0.000 0.292 580 G C 0.027 174.935 174.900 0.013 0.000 1.079 580 G CA 0.533 45.644 45.100 0.019 0.000 1.026 580 G HN 1.390 nan 8.290 nan 0.000 0.506 581 L N -0.812 120.418 121.223 0.013 0.000 2.808 581 L HA 0.452 4.794 4.340 0.003 0.000 0.246 581 L C 0.802 177.674 176.870 0.002 0.000 1.153 581 L CA 0.517 55.362 54.840 0.008 0.000 0.956 581 L CB 0.286 42.350 42.059 0.009 0.000 1.270 581 L HN 0.161 nan 8.230 nan 0.000 0.528 582 K N -0.393 120.009 120.400 0.002 0.000 2.443 582 K HA 0.275 4.597 4.320 0.003 0.000 0.251 582 K C -0.918 175.679 176.600 -0.005 0.000 0.972 582 K CA -0.852 55.432 56.287 -0.006 0.000 0.833 582 K CB 1.603 34.097 32.500 -0.010 0.000 1.317 582 K HN -0.223 nan 8.250 nan 0.000 0.441 583 D N 2.379 122.773 120.400 -0.011 0.000 2.531 583 D HA -0.018 4.624 4.640 0.003 0.000 0.239 583 D C -1.550 174.746 176.300 -0.006 0.000 1.144 583 D CA -0.841 53.153 54.000 -0.010 0.000 0.869 583 D CB 0.943 41.733 40.800 -0.016 0.000 1.160 583 D HN 0.049 nan 8.370 nan 0.000 0.484 584 P HA -0.060 nan 4.420 nan 0.000 0.222 584 P C -0.061 177.240 177.300 0.001 0.000 1.147 584 P CA 0.711 63.812 63.100 0.003 0.000 0.790 584 P CB 0.230 31.932 31.700 0.005 0.000 0.780 585 N N 1.239 119.937 118.700 -0.003 0.000 3.298 585 N HA 0.167 4.908 4.740 0.003 0.000 0.292 585 N C 0.042 175.545 175.510 -0.010 0.000 1.271 585 N CA 0.238 53.286 53.050 -0.004 0.000 1.184 585 N CB 0.154 38.636 38.487 -0.008 0.000 1.452 585 N HN 0.237 nan 8.380 nan 0.000 0.534 586 R N -0.292 120.204 120.500 -0.006 0.000 2.728 586 R HA 0.414 4.756 4.340 0.003 0.000 0.274 586 R C -2.999 173.303 176.300 0.003 0.000 1.030 586 R CA -1.374 54.717 56.100 -0.015 0.000 0.876 586 R CB 1.186 31.466 30.300 -0.033 0.000 1.259 586 R HN 0.022 nan 8.270 nan 0.000 0.468 587 P HA 0.247 nan 4.420 nan 0.000 0.274 587 P C 0.593 177.903 177.300 0.016 0.000 1.237 587 P CA -0.349 62.771 63.100 0.033 0.000 0.793 587 P CB 0.539 32.263 31.700 0.040 0.000 0.977 588 I N -0.279 120.322 120.570 0.052 0.000 2.315 588 I HA -0.113 4.059 4.170 0.003 0.000 0.251 588 I C 1.179 177.323 176.117 0.045 0.000 1.125 588 I CA 1.601 62.942 61.300 0.070 0.000 1.392 588 I CB -0.631 37.450 38.000 0.135 0.000 1.065 588 I HN 0.458 nan 8.210 nan 0.000 0.424 589 G N -0.097 108.712 108.800 0.015 0.000 2.691 589 G HA2 0.446 4.407 3.960 0.003 0.000 0.298 589 G HA3 0.446 4.407 3.960 0.003 0.000 0.298 589 G C -1.264 173.415 174.900 -0.368 0.000 1.471 589 G CA -0.213 44.785 45.100 -0.170 0.000 0.912 589 G HN 0.084 nan 8.290 nan 0.000 0.553 590 S N 0.281 115.516 115.700 -0.775 0.000 2.521 590 S HA 0.910 5.382 4.470 0.003 0.000 0.295 590 S C -1.068 172.941 174.600 -0.984 0.000 1.098 590 S CA -0.774 57.060 58.200 -0.609 0.000 0.999 590 S CB 1.436 64.422 63.200 -0.356 0.000 1.034 590 S HN 0.607 nan 8.310 nan 0.000 0.483 591 F N 1.005 120.908 119.950 -0.079 0.000 2.629 591 F HA 0.724 5.253 4.527 0.002 0.000 0.316 591 F C -0.833 174.912 175.800 -0.091 0.000 1.081 591 F CA -1.237 56.744 58.000 -0.031 0.000 0.954 591 F CB 1.790 40.852 39.000 0.103 0.000 1.337 591 F HN 0.576 nan 8.300 nan 0.000 0.474 592 L N 2.641 124.023 121.223 0.265 0.000 2.388 592 L HA 0.509 4.851 4.340 0.003 0.000 0.267 592 L C -1.676 175.483 176.870 0.481 0.000 0.995 592 L CA -0.473 54.486 54.840 0.200 0.000 0.864 592 L CB 0.325 42.433 42.059 0.082 0.000 1.216 592 L HN 0.507 nan 8.230 nan 0.000 0.430 593 F N 5.950 126.026 119.950 0.209 0.000 2.421 593 F HA 0.403 4.932 4.527 0.003 0.000 0.358 593 F C 0.123 176.032 175.800 0.181 0.000 1.115 593 F CA -0.757 57.395 58.000 0.253 0.000 1.160 593 F CB 0.790 39.853 39.000 0.106 0.000 1.123 593 F HN 0.307 nan 8.300 nan 0.000 0.508 594 L N 2.570 124.046 121.223 0.421 0.000 2.303 594 L HA 0.950 5.292 4.340 0.003 0.000 0.266 594 L C 0.322 177.354 176.870 0.271 0.000 1.011 594 L CA -0.783 54.228 54.840 0.284 0.000 0.818 594 L CB 1.968 44.180 42.059 0.256 0.000 1.326 594 L HN 0.816 nan 8.230 nan 0.000 0.435 595 G N 0.652 109.566 108.800 0.191 0.000 2.331 595 G HA2 0.011 3.973 3.960 0.003 0.000 0.402 595 G HA3 0.011 3.973 3.960 0.003 0.000 0.402 595 G C -3.233 171.738 174.900 0.119 0.000 1.275 595 G CA -1.056 44.149 45.100 0.175 0.000 1.003 595 G HN 0.377 nan 8.290 nan 0.000 0.500 596 P HA 0.374 nan 4.420 nan 0.000 0.281 596 P C 0.311 177.648 177.300 0.061 0.000 1.274 596 P CA 0.248 63.401 63.100 0.088 0.000 0.794 596 P CB 0.247 32.011 31.700 0.106 0.000 1.201 597 T N -1.250 113.339 114.554 0.058 0.000 2.945 597 T HA 0.497 4.849 4.350 0.003 0.000 0.286 597 T C 0.493 175.215 174.700 0.036 0.000 1.025 597 T CA 0.239 62.359 62.100 0.033 0.000 1.039 597 T CB 0.888 69.784 68.868 0.047 0.000 1.068 597 T HN 0.750 nan 8.240 nan 0.000 0.497 598 G N 0.736 109.539 108.800 0.006 0.000 2.395 598 G HA2 -0.184 3.777 3.960 0.003 0.000 0.300 598 G HA3 -0.184 3.777 3.960 0.003 0.000 0.300 598 G C 0.483 175.437 174.900 0.089 0.000 0.998 598 G CA 0.609 45.724 45.100 0.024 0.000 1.046 598 G HN 1.330 nan 8.290 nan 0.000 0.513 599 V N -3.968 115.998 119.914 0.087 0.000 3.276 599 V HA 0.755 4.877 4.120 0.003 0.000 0.319 599 V C 1.348 177.554 176.094 0.187 0.000 1.476 599 V CA 0.828 63.229 62.300 0.168 0.000 1.097 599 V CB 0.060 32.012 31.823 0.214 0.000 0.988 599 V HN 1.843 nan 8.190 nan 0.000 0.473 600 G N 0.623 109.482 108.800 0.098 0.000 3.876 600 G HA2 -0.168 3.794 3.960 0.003 0.000 0.203 600 G HA3 -0.168 3.794 3.960 0.003 0.000 0.203 600 G C 0.865 175.757 174.900 -0.013 0.000 1.162 600 G CA 0.224 45.429 45.100 0.175 0.000 0.903 600 G HN 0.291 nan 8.290 nan 0.000 0.390 601 K N 0.320 120.328 120.400 -0.654 0.000 1.987 601 K HA -0.231 4.091 4.320 0.003 0.000 0.232 601 K C 2.412 178.999 176.600 -0.022 0.000 1.034 601 K CA 2.664 58.556 56.287 -0.657 0.000 1.013 601 K CB -0.896 31.262 32.500 -0.570 0.000 0.736 601 K HN 0.344 nan 8.250 nan 0.000 0.446 602 T N 1.364 115.901 114.554 -0.028 0.000 2.759 602 T HA -0.138 4.213 4.350 0.003 0.000 0.269 602 T C 1.743 176.472 174.700 0.049 0.000 1.042 602 T CA 1.156 63.272 62.100 0.026 0.000 1.140 602 T CB -0.154 68.712 68.868 -0.003 0.000 0.864 602 T HN 0.229 nan 8.240 nan 0.000 0.455 603 E N 0.853 121.077 120.200 0.041 0.000 2.023 603 E HA -0.108 4.244 4.350 0.003 0.000 0.196 603 E C 2.244 178.888 176.600 0.074 0.000 1.003 603 E CA 0.916 57.346 56.400 0.050 0.000 0.809 603 E CB -0.578 29.152 29.700 0.051 0.000 0.755 603 E HN 0.311 nan 8.360 nan 0.000 0.449 604 L N 0.966 122.262 121.223 0.123 0.000 2.043 604 L HA -0.175 4.167 4.340 0.003 0.000 0.212 604 L C 2.207 179.168 176.870 0.152 0.000 1.075 604 L CA 2.348 57.270 54.840 0.136 0.000 0.752 604 L CB -0.885 41.306 42.059 0.220 0.000 0.891 604 L HN 0.073 nan 8.230 nan 0.000 0.432 605 A N -0.723 122.221 122.820 0.208 0.000 1.883 605 A HA -0.255 4.067 4.320 0.003 0.000 0.217 605 A C 2.378 180.014 177.584 0.086 0.000 1.186 605 A CA 2.107 54.234 52.037 0.149 0.000 0.624 605 A CB -0.538 18.529 19.000 0.113 0.000 0.822 605 A HN 0.519 nan 8.150 nan 0.000 0.444 606 K N -1.064 119.375 120.400 0.066 0.000 1.985 606 K HA -0.103 4.219 4.320 0.003 0.000 0.210 606 K C 2.196 178.819 176.600 0.037 0.000 1.047 606 K CA 1.859 58.173 56.287 0.045 0.000 0.932 606 K CB -0.511 32.005 32.500 0.027 0.000 0.716 606 K HN 0.474 nan 8.250 nan 0.000 0.439 607 T N 2.300 116.870 114.554 0.028 0.000 2.699 607 T HA -0.175 4.177 4.350 0.003 0.000 0.268 607 T C 1.753 176.448 174.700 -0.007 0.000 1.036 607 T CA 1.067 63.172 62.100 0.007 0.000 1.147 607 T CB -0.220 68.646 68.868 -0.004 0.000 0.862 607 T HN 0.163 nan 8.240 nan 0.000 0.446 608 L N 0.509 121.730 121.223 -0.003 0.000 1.989 608 L HA -0.176 4.166 4.340 0.003 0.000 0.211 608 L C 2.887 179.723 176.870 -0.058 0.000 1.071 608 L CA 1.657 56.473 54.840 -0.041 0.000 0.749 608 L CB -0.679 41.372 42.059 -0.013 0.000 0.890 608 L HN 0.305 nan 8.230 nan 0.000 0.431 609 A N -0.301 122.538 122.820 0.032 0.000 1.892 609 A HA -0.286 4.036 4.320 0.003 0.000 0.218 609 A C 2.390 180.042 177.584 0.112 0.000 1.188 609 A CA 2.200 54.316 52.037 0.132 0.000 0.631 609 A CB -0.957 18.140 19.000 0.162 0.000 0.822 609 A HN 0.590 nan 8.150 nan 0.000 0.447 610 A N -1.584 121.272 122.820 0.060 0.000 1.841 610 A HA -0.104 4.218 4.320 0.003 0.000 0.214 610 A C 2.456 180.050 177.584 0.015 0.000 1.195 610 A CA 2.564 54.630 52.037 0.049 0.000 0.611 610 A CB -1.469 17.545 19.000 0.024 0.000 0.835 610 A HN 0.571 nan 8.150 nan 0.000 0.443 611 T N -1.304 113.235 114.554 -0.025 0.000 2.759 611 T HA -0.131 4.220 4.350 0.003 0.000 0.269 611 T C 1.747 176.399 174.700 -0.081 0.000 1.042 611 T CA 1.827 63.899 62.100 -0.047 0.000 1.140 611 T CB -0.325 68.510 68.868 -0.055 0.000 0.864 611 T HN 0.205 nan 8.240 nan 0.000 0.455 612 L N -0.890 120.224 121.223 -0.182 0.000 2.202 612 L HA 0.433 4.775 4.340 0.003 0.000 0.205 612 L C 1.133 177.820 176.870 -0.304 0.000 1.083 612 L CA 1.364 55.986 54.840 -0.362 0.000 0.790 612 L CB -0.038 41.599 42.059 -0.703 0.000 0.942 612 L HN 0.354 nan 8.230 nan 0.000 0.452 613 F N -0.718 119.314 119.950 0.137 0.000 2.708 613 F HA 0.186 4.714 4.527 0.003 0.000 0.300 613 F C 0.246 176.172 175.800 0.210 0.000 1.118 613 F CA -0.616 57.515 58.000 0.218 0.000 1.307 613 F CB -0.039 39.059 39.000 0.163 0.000 0.986 613 F HN 0.025 nan 8.300 nan 0.000 0.522 614 D N 0.416 120.936 120.400 0.199 0.000 2.955 614 D HA -0.230 4.411 4.640 0.003 0.000 0.226 614 D C 0.233 176.566 176.300 0.055 0.000 1.178 614 D CA 1.655 55.674 54.000 0.033 0.000 0.808 614 D CB -1.254 39.426 40.800 -0.202 0.000 1.099 614 D HN 0.331 nan 8.370 nan 0.000 0.421 615 T N -2.394 112.231 114.554 0.118 0.000 3.168 615 T HA 0.170 4.522 4.350 0.003 0.000 0.373 615 T C -0.195 174.567 174.700 0.103 0.000 1.681 615 T CA -0.606 61.549 62.100 0.091 0.000 1.135 615 T CB 1.219 70.141 68.868 0.091 0.000 1.477 615 T HN -0.036 nan 8.240 nan 0.000 0.480 616 E N 1.435 121.671 120.200 0.061 0.000 2.478 616 E HA -0.029 4.323 4.350 0.003 0.000 0.198 616 E C 1.134 177.766 176.600 0.053 0.000 1.046 616 E CA 0.305 56.737 56.400 0.053 0.000 0.870 616 E CB 0.285 29.997 29.700 0.020 0.000 0.818 616 E HN 0.499 nan 8.360 nan 0.000 0.527 617 E N 0.167 120.401 120.200 0.056 0.000 2.482 617 E HA -0.044 4.308 4.350 0.003 0.000 0.196 617 E C 1.384 178.012 176.600 0.047 0.000 1.047 617 E CA 0.219 56.643 56.400 0.041 0.000 0.869 617 E CB 0.250 29.973 29.700 0.038 0.000 0.836 617 E HN 0.181 nan 8.360 nan 0.000 0.520 618 A N 0.530 123.405 122.820 0.092 0.000 2.278 618 A HA 0.126 4.448 4.320 0.003 0.000 0.212 618 A C 1.084 178.726 177.584 0.096 0.000 1.213 618 A CA -0.111 51.984 52.037 0.095 0.000 0.840 618 A CB -0.290 18.853 19.000 0.239 0.000 0.866 618 A HN 0.148 nan 8.150 nan 0.000 0.489 619 M N 0.319 119.962 119.600 0.071 0.000 2.314 619 M HA 0.602 5.084 4.480 0.003 0.000 0.342 619 M C -1.525 174.775 176.300 0.000 0.000 1.171 619 M CA -0.246 55.084 55.300 0.051 0.000 1.098 619 M CB 0.921 33.547 32.600 0.044 0.000 1.559 619 M HN 0.159 nan 8.290 nan 0.000 0.459 620 I N 3.791 124.347 120.570 -0.024 0.000 2.529 620 I HA 0.387 4.558 4.170 0.003 0.000 0.284 620 I C -0.805 175.241 176.117 -0.118 0.000 1.088 620 I CA -0.581 60.677 61.300 -0.070 0.000 1.062 620 I CB 2.043 39.989 38.000 -0.090 0.000 1.218 620 I HN 0.711 nan 8.210 nan 0.000 0.442 621 R N 6.206 126.637 120.500 -0.114 0.000 2.540 621 R HA 0.687 5.028 4.340 0.003 0.000 0.287 621 R C -1.075 175.098 176.300 -0.211 0.000 0.980 621 R CA -0.587 55.423 56.100 -0.149 0.000 0.966 621 R CB 1.326 31.582 30.300 -0.073 0.000 1.106 621 R HN 0.447 nan 8.270 nan 0.000 0.480 622 I N 3.617 123.995 120.570 -0.320 0.000 2.563 622 I HA 0.086 4.258 4.170 0.003 0.000 0.276 622 I C -0.776 175.247 176.117 -0.157 0.000 1.074 622 I CA -0.707 60.364 61.300 -0.382 0.000 1.124 622 I CB 1.118 38.581 38.000 -0.896 0.000 1.225 622 I HN 0.671 nan 8.210 nan 0.000 0.482 623 D N 5.264 125.703 120.400 0.066 0.000 2.597 623 D HA -0.007 4.635 4.640 0.003 0.000 0.228 623 D C 1.552 177.980 176.300 0.212 0.000 1.120 623 D CA -0.056 54.009 54.000 0.109 0.000 1.083 623 D CB 0.568 41.429 40.800 0.102 0.000 1.116 623 D HN 0.377 nan 8.370 nan 0.000 0.487 624 M N 1.911 121.585 119.600 0.124 0.000 2.128 624 M HA -0.230 4.251 4.480 0.003 0.000 0.253 624 M C 1.935 178.362 176.300 0.213 0.000 1.079 624 M CA 1.819 57.216 55.300 0.161 0.000 1.082 624 M CB -1.231 31.422 32.600 0.088 0.000 1.335 624 M HN 0.298 nan 8.290 nan 0.000 0.401 625 T N -0.209 114.433 114.554 0.147 0.000 3.118 625 T HA -0.167 4.185 4.350 0.003 0.000 0.269 625 T C 1.370 176.142 174.700 0.121 0.000 1.166 625 T CA 1.725 63.897 62.100 0.120 0.000 1.073 625 T CB -0.390 68.525 68.868 0.078 0.000 0.884 625 T HN 0.816 nan 8.240 nan 0.000 0.550 626 E N -1.505 118.788 120.200 0.155 0.000 2.256 626 E HA 0.032 4.383 4.350 0.003 0.000 0.198 626 E C -0.073 176.558 176.600 0.052 0.000 0.908 626 E CA -0.249 56.184 56.400 0.055 0.000 0.915 626 E CB -0.312 29.359 29.700 -0.048 0.000 0.890 626 E HN 0.492 nan 8.360 nan 0.000 0.484 627 Y N 1.748 122.088 120.300 0.065 0.000 2.518 627 Y HA 0.210 4.762 4.550 0.002 0.000 0.337 627 Y C 0.525 176.527 175.900 0.170 0.000 1.261 627 Y CA 0.296 58.453 58.100 0.096 0.000 1.856 627 Y CB -0.105 38.424 38.460 0.114 0.000 1.798 627 Y HN 0.134 nan 8.280 nan 0.000 0.440 628 M N 0.359 120.081 119.600 0.204 0.000 2.412 628 M HA 0.111 4.593 4.480 0.003 0.000 0.315 628 M C 0.817 177.072 176.300 -0.076 0.000 1.092 628 M CA -0.084 55.336 55.300 0.200 0.000 0.974 628 M CB 0.541 33.270 32.600 0.213 0.000 1.437 628 M HN 0.433 nan 8.290 nan 0.000 0.524 629 E N 1.463 121.578 120.200 -0.143 0.000 3.880 629 E HA 0.141 4.493 4.350 0.003 0.000 0.303 629 E C 0.484 176.774 176.600 -0.516 0.000 0.829 629 E CA -0.120 56.117 56.400 -0.271 0.000 1.350 629 E CB -0.494 29.113 29.700 -0.156 0.000 2.520 629 E HN 0.070 nan 8.360 nan 0.000 0.506 630 K N 1.994 122.205 120.400 -0.315 0.000 2.968 630 K HA 0.034 4.355 4.320 0.003 0.000 0.249 630 K C 0.968 177.481 176.600 -0.145 0.000 1.062 630 K CA 0.226 56.343 56.287 -0.284 0.000 1.215 630 K CB -1.027 31.401 32.500 -0.119 0.000 1.097 630 K HN 0.412 nan 8.250 nan 0.000 0.462 631 H N 1.233 120.351 119.070 0.079 0.000 2.315 631 H HA -0.299 4.259 4.556 0.002 0.000 0.284 631 H C 1.956 177.354 175.328 0.116 0.000 1.102 631 H CA 2.068 58.216 56.048 0.167 0.000 1.159 631 H CB -1.328 28.521 29.762 0.146 0.000 1.382 631 H HN 0.324 nan 8.280 nan 0.000 0.542 632 A N 1.021 124.163 122.820 0.535 0.000 1.894 632 A HA -0.282 4.040 4.320 0.003 0.000 0.220 632 A C 2.859 180.532 177.584 0.147 0.000 1.237 632 A CA 3.526 55.709 52.037 0.242 0.000 0.660 632 A CB -1.406 17.728 19.000 0.224 0.000 0.835 632 A HN 0.396 nan 8.150 nan 0.000 0.461 633 V N -0.167 119.821 119.914 0.123 0.000 2.380 633 V HA -0.229 3.892 4.120 0.003 0.000 0.251 633 V C 2.226 178.370 176.094 0.084 0.000 1.063 633 V CA 2.226 64.572 62.300 0.077 0.000 1.055 633 V CB -0.907 30.944 31.823 0.046 0.000 0.657 633 V HN 0.534 nan 8.190 nan 0.000 0.455 634 S N -0.343 115.434 115.700 0.128 0.000 2.881 634 S HA 0.106 4.577 4.470 0.003 0.000 0.228 634 S C 1.166 175.866 174.600 0.165 0.000 0.965 634 S CA 0.444 58.741 58.200 0.161 0.000 0.998 634 S CB -0.360 62.990 63.200 0.250 0.000 0.795 634 S HN 0.616 nan 8.310 nan 0.000 0.518 635 R N 0.466 121.026 120.500 0.100 0.000 2.518 635 R HA 0.371 4.713 4.340 0.003 0.000 0.419 635 R C -0.483 175.844 176.300 0.044 0.000 0.902 635 R CA 0.011 56.148 56.100 0.061 0.000 1.146 635 R CB 0.335 30.653 30.300 0.030 0.000 1.652 635 R HN 0.342 nan 8.270 nan 0.000 0.555 652 L N 2.070 123.309 121.223 0.027 0.000 1.956 652 L HA -0.149 4.193 4.340 0.003 0.000 0.216 652 L C 2.390 179.307 176.870 0.080 0.000 1.073 652 L CA 3.490 58.352 54.840 0.037 0.000 0.762 652 L CB -1.119 40.982 42.059 0.071 0.000 0.889 652 L HN 0.622 nan 8.230 nan 0.000 0.433 653 T N -3.302 111.332 114.554 0.134 0.000 2.680 653 T HA -0.270 4.082 4.350 0.003 0.000 0.268 653 T C 1.788 176.508 174.700 0.033 0.000 1.033 653 T CA 1.632 63.824 62.100 0.152 0.000 1.152 653 T CB -0.707 68.230 68.868 0.114 0.000 0.859 653 T HN 0.467 nan 8.240 nan 0.000 0.452 654 E N 1.664 121.866 120.200 0.002 0.000 2.031 654 E HA -0.012 4.340 4.350 0.003 0.000 0.193 654 E C 2.792 179.364 176.600 -0.047 0.000 0.994 654 E CA 1.419 57.804 56.400 -0.025 0.000 0.800 654 E CB -0.933 28.753 29.700 -0.024 0.000 0.752 654 E HN 0.695 nan 8.360 nan 0.000 0.447 655 A N 1.071 123.861 122.820 -0.050 0.000 1.873 655 A HA -0.188 4.134 4.320 0.003 0.000 0.218 655 A C 2.642 180.148 177.584 -0.130 0.000 1.193 655 A CA 1.988 53.980 52.037 -0.075 0.000 0.629 655 A CB -0.874 18.084 19.000 -0.070 0.000 0.826 655 A HN 0.152 nan 8.150 nan 0.000 0.447 656 V N 0.127 119.929 119.914 -0.187 0.000 2.407 656 V HA -0.222 3.900 4.120 0.003 0.000 0.248 656 V C 2.711 178.641 176.094 -0.273 0.000 1.055 656 V CA 2.008 64.094 62.300 -0.357 0.000 1.049 656 V CB -0.873 30.514 31.823 -0.728 0.000 0.662 656 V HN 0.542 nan 8.190 nan 0.000 0.455 657 R N 1.175 121.580 120.500 -0.158 0.000 2.103 657 R HA -0.189 4.153 4.340 0.003 0.000 0.242 657 R C 2.465 178.715 176.300 -0.084 0.000 1.142 657 R CA 2.264 58.309 56.100 -0.092 0.000 0.960 657 R CB -0.336 29.941 30.300 -0.038 0.000 0.858 657 R HN 0.704 nan 8.270 nan 0.000 0.439 658 R N -0.534 119.917 120.500 -0.081 0.000 2.210 658 R HA 0.084 4.425 4.340 0.003 0.000 0.203 658 R C 0.744 176.994 176.300 -0.084 0.000 1.010 658 R CA 0.368 56.430 56.100 -0.063 0.000 1.008 658 R CB 0.102 30.376 30.300 -0.044 0.000 0.923 658 R HN -0.113 nan 8.270 nan 0.000 0.469 659 R N 1.181 121.604 120.500 -0.128 0.000 2.547 659 R HA 0.272 4.614 4.340 0.003 0.000 0.280 659 R C -2.326 173.832 176.300 -0.236 0.000 1.630 659 R CA -1.948 54.061 56.100 -0.152 0.000 1.470 659 R CB 1.338 31.558 30.300 -0.132 0.000 1.178 659 R HN -0.066 nan 8.270 nan 0.000 0.591 660 P HA -0.175 nan 4.420 nan 0.000 0.214 660 P C -0.479 176.515 177.300 -0.510 0.000 1.163 660 P CA 1.297 64.173 63.100 -0.373 0.000 0.889 660 P CB 0.102 31.595 31.700 -0.345 0.000 0.790 661 Y N 0.494 120.460 120.300 -0.557 0.000 2.585 661 Y HA 0.347 4.899 4.550 0.003 0.000 0.354 661 Y C 0.899 176.095 175.900 -1.173 0.000 1.024 661 Y CA -0.012 57.520 58.100 -0.947 0.000 1.321 661 Y CB -0.540 37.282 38.460 -1.064 0.000 1.151 661 Y HN -0.034 nan 8.280 nan 0.000 0.525 662 S N 0.240 115.499 115.700 -0.734 0.000 2.567 662 S HA 0.699 5.170 4.470 0.003 0.000 0.270 662 S C -1.408 173.249 174.600 0.095 0.000 1.152 662 S CA -1.136 56.883 58.200 -0.302 0.000 0.835 662 S CB 1.041 64.120 63.200 -0.202 0.000 1.115 662 S HN 0.133 nan 8.310 nan 0.000 0.459 663 V N 1.845 121.899 119.914 0.233 0.000 2.439 663 V HA 0.503 4.624 4.120 0.003 0.000 0.282 663 V C -0.473 175.687 176.094 0.110 0.000 1.039 663 V CA -0.513 61.923 62.300 0.227 0.000 0.913 663 V CB 0.935 32.891 31.823 0.223 0.000 0.983 663 V HN 0.797 nan 8.190 nan 0.000 0.460 664 I N 5.830 126.476 120.570 0.126 0.000 2.382 664 I HA 0.381 4.552 4.170 0.003 0.000 0.286 664 I C -0.806 175.378 176.117 0.112 0.000 1.002 664 I CA -0.596 60.754 61.300 0.083 0.000 1.135 664 I CB 1.681 39.797 38.000 0.194 0.000 1.288 664 I HN 0.380 nan 8.210 nan 0.000 0.448 665 L N 7.702 128.901 121.223 -0.040 0.000 2.287 665 L HA 0.540 4.881 4.340 0.003 0.000 0.287 665 L C -1.316 175.479 176.870 -0.125 0.000 1.022 665 L CA 0.059 54.895 54.840 -0.007 0.000 0.814 665 L CB 0.628 42.671 42.059 -0.027 0.000 1.217 665 L HN 0.233 nan 8.230 nan 0.000 0.420 666 F N 3.438 123.347 119.950 -0.068 0.000 2.332 666 F HA 0.382 4.911 4.527 0.003 0.000 0.368 666 F C 0.463 176.229 175.800 -0.056 0.000 1.110 666 F CA -0.739 57.213 58.000 -0.080 0.000 1.087 666 F CB 0.623 39.559 39.000 -0.107 0.000 1.235 666 F HN 0.434 nan 8.300 nan 0.000 0.470 667 D N 3.049 123.493 120.400 0.073 0.000 2.339 667 D HA 0.068 4.710 4.640 0.003 0.000 0.245 667 D C 0.207 176.558 176.300 0.085 0.000 1.115 667 D CA 0.140 54.177 54.000 0.063 0.000 0.917 667 D CB 0.553 41.374 40.800 0.036 0.000 1.192 667 D HN 0.377 nan 8.370 nan 0.000 0.428 668 E N 0.987 121.236 120.200 0.082 0.000 2.216 668 E HA -0.236 4.115 4.350 0.003 0.000 0.162 668 E C 0.932 177.596 176.600 0.107 0.000 1.642 668 E CA 0.089 56.546 56.400 0.094 0.000 0.599 668 E CB -0.810 28.937 29.700 0.078 0.000 1.045 668 E HN 0.403 nan 8.360 nan 0.000 0.308 669 I N 2.248 122.896 120.570 0.130 0.000 2.315 669 I HA -0.264 3.907 4.170 0.003 0.000 0.248 669 I C 2.429 178.671 176.117 0.209 0.000 1.117 669 I CA 1.869 63.227 61.300 0.096 0.000 1.404 669 I CB -0.023 38.020 38.000 0.071 0.000 1.071 669 I HN 0.372 nan 8.210 nan 0.000 0.419 670 E N 0.411 120.807 120.200 0.327 0.000 2.160 670 E HA -0.263 4.089 4.350 0.003 0.000 0.195 670 E C 1.587 178.267 176.600 0.132 0.000 0.991 670 E CA 1.165 57.730 56.400 0.274 0.000 0.810 670 E CB -0.723 29.040 29.700 0.105 0.000 0.742 670 E HN 0.369 nan 8.360 nan 0.000 0.466 671 K N 1.067 121.518 120.400 0.085 0.000 2.442 671 K HA 0.151 4.473 4.320 0.003 0.000 0.198 671 K C 0.921 177.515 176.600 -0.010 0.000 1.042 671 K CA 0.706 57.011 56.287 0.030 0.000 0.958 671 K CB -0.376 32.163 32.500 0.065 0.000 0.766 671 K HN 0.261 nan 8.250 nan 0.000 0.474 672 A N 1.228 124.050 122.820 0.003 0.000 2.386 672 A HA 0.206 4.528 4.320 0.003 0.000 0.248 672 A C -0.622 176.950 177.584 -0.020 0.000 1.082 672 A CA -0.136 51.879 52.037 -0.036 0.000 0.789 672 A CB -0.019 18.787 19.000 -0.324 0.000 1.025 672 A HN 0.274 nan 8.150 nan 0.000 0.490 673 H N 1.481 120.562 119.070 0.018 0.000 2.467 673 H HA 0.337 4.895 4.556 0.003 0.000 0.331 673 H C -1.763 173.617 175.328 0.087 0.000 1.120 673 H CA -1.522 54.575 56.048 0.080 0.000 1.270 673 H CB 0.662 30.506 29.762 0.136 0.000 1.466 673 H HN 0.380 nan 8.280 nan 0.000 0.504 674 P HA -0.359 nan 4.420 nan 0.000 0.225 674 P C 1.410 178.792 177.300 0.138 0.000 1.154 674 P CA 1.903 65.128 63.100 0.209 0.000 0.885 674 P CB 0.330 32.080 31.700 0.083 0.000 0.785 675 D N -0.654 119.767 120.400 0.034 0.000 2.106 675 D HA -0.146 4.495 4.640 0.003 0.000 0.191 675 D C 1.782 178.009 176.300 -0.121 0.000 0.997 675 D CA 1.552 55.520 54.000 -0.053 0.000 0.834 675 D CB -0.453 40.294 40.800 -0.088 0.000 0.956 675 D HN -0.025 nan 8.370 nan 0.000 0.448 676 V N 0.437 120.185 119.914 -0.277 0.000 2.287 676 V HA -0.250 3.872 4.120 0.003 0.000 0.248 676 V C 2.512 178.472 176.094 -0.224 0.000 1.053 676 V CA 1.617 63.755 62.300 -0.270 0.000 1.027 676 V CB -0.967 30.640 31.823 -0.361 0.000 0.646 676 V HN 0.125 nan 8.190 nan 0.000 0.447 677 F N 0.998 120.839 119.950 -0.182 0.000 2.225 677 F HA -0.238 4.291 4.527 0.003 0.000 0.302 677 F C 2.183 177.898 175.800 -0.142 0.000 1.068 677 F CA 2.093 59.969 58.000 -0.208 0.000 1.327 677 F CB -0.820 38.046 39.000 -0.222 0.000 1.043 677 F HN 0.232 nan 8.300 nan 0.000 0.506 678 N N 0.136 118.871 118.700 0.059 0.000 2.080 678 N HA -0.123 4.618 4.740 0.003 0.000 0.189 678 N C 1.729 177.217 175.510 -0.036 0.000 1.036 678 N CA 1.262 54.322 53.050 0.017 0.000 0.846 678 N CB -0.387 38.107 38.487 0.011 0.000 1.015 678 N HN 0.028 nan 8.380 nan 0.000 0.423 679 I N 0.287 120.818 120.570 -0.066 0.000 2.163 679 I HA -0.193 3.979 4.170 0.003 0.000 0.243 679 I C 2.055 178.085 176.117 -0.146 0.000 1.085 679 I CA 0.707 61.948 61.300 -0.098 0.000 1.347 679 I CB -0.640 37.312 38.000 -0.081 0.000 1.044 679 I HN 0.150 nan 8.210 nan 0.000 0.408 680 L N -0.101 121.021 121.223 -0.169 0.000 1.970 680 L HA -0.201 4.141 4.340 0.003 0.000 0.212 680 L C 2.335 179.131 176.870 -0.124 0.000 1.071 680 L CA 1.749 56.448 54.840 -0.234 0.000 0.751 680 L CB -0.842 40.996 42.059 -0.368 0.000 0.889 680 L HN 0.176 nan 8.230 nan 0.000 0.432 681 L N -0.338 120.876 121.223 -0.015 0.000 2.081 681 L HA -0.292 4.049 4.340 0.003 0.000 0.212 681 L C 2.612 179.462 176.870 -0.034 0.000 1.080 681 L CA 2.131 56.998 54.840 0.045 0.000 0.754 681 L CB -0.775 41.337 42.059 0.088 0.000 0.893 681 L HN 0.589 nan 8.230 nan 0.000 0.433 682 Q N -1.240 118.515 119.800 -0.075 0.000 2.224 682 Q HA -0.181 4.161 4.340 0.003 0.000 0.203 682 Q C 1.994 177.895 176.000 -0.165 0.000 0.970 682 Q CA 1.148 56.888 55.803 -0.105 0.000 0.865 682 Q CB 0.098 28.768 28.738 -0.113 0.000 0.922 682 Q HN 0.513 nan 8.270 nan 0.000 0.445 683 I N 0.246 120.683 120.570 -0.222 0.000 2.277 683 I HA -0.210 3.961 4.170 0.003 0.000 0.243 683 I C 2.073 178.100 176.117 -0.149 0.000 1.094 683 I CA 0.845 61.968 61.300 -0.296 0.000 1.393 683 I CB -0.962 36.830 38.000 -0.347 0.000 1.078 683 I HN 0.270 nan 8.210 nan 0.000 0.417 684 L N 0.249 121.404 121.223 -0.113 0.000 2.127 684 L HA -0.145 4.197 4.340 0.003 0.000 0.211 684 L C 0.699 177.524 176.870 -0.075 0.000 1.089 684 L CA 1.430 56.215 54.840 -0.092 0.000 0.757 684 L CB -0.530 41.474 42.059 -0.092 0.000 0.899 684 L HN 0.201 nan 8.230 nan 0.000 0.434 685 D N -0.538 119.822 120.400 -0.066 0.000 2.268 685 D HA 0.098 4.739 4.640 0.003 0.000 0.249 685 D C 0.458 176.726 176.300 -0.053 0.000 1.008 685 D CA 0.178 54.148 54.000 -0.051 0.000 0.939 685 D CB 1.092 41.869 40.800 -0.038 0.000 1.170 685 D HN 0.156 nan 8.370 nan 0.000 0.468 686 D N 0.046 120.423 120.400 -0.038 0.000 3.043 686 D HA -0.274 4.368 4.640 0.003 0.000 0.215 686 D C 1.034 177.317 176.300 -0.028 0.000 1.165 686 D CA 1.218 55.200 54.000 -0.031 0.000 0.953 686 D CB -1.645 39.136 40.800 -0.033 0.000 1.115 686 D HN 0.827 nan 8.370 nan 0.000 0.392 687 G N 0.769 109.547 108.800 -0.036 0.000 2.402 687 G HA2 -0.360 3.602 3.960 0.003 0.000 0.300 687 G HA3 -0.360 3.602 3.960 0.003 0.000 0.300 687 G C 0.299 175.213 174.900 0.023 0.000 0.987 687 G CA 1.241 46.339 45.100 -0.004 0.000 0.881 687 G HN 0.745 nan 8.290 nan 0.000 0.512 688 R N -2.086 118.377 120.500 -0.061 0.000 2.869 688 R HA 0.861 5.203 4.340 0.003 0.000 0.263 688 R C -1.314 174.877 176.300 -0.181 0.000 1.066 688 R CA -1.066 55.013 56.100 -0.035 0.000 0.960 688 R CB 1.593 31.895 30.300 0.003 0.000 1.221 688 R HN 0.228 nan 8.270 nan 0.000 0.474 689 L N -0.282 120.874 121.223 -0.112 0.000 2.549 689 L HA 0.351 4.693 4.340 0.003 0.000 0.259 689 L C -1.322 175.530 176.870 -0.030 0.000 0.934 689 L CA -0.054 54.696 54.840 -0.150 0.000 0.865 689 L CB 2.725 44.588 42.059 -0.327 0.000 1.352 689 L HN 0.558 nan 8.230 nan 0.000 0.410 690 T N 3.356 117.891 114.554 -0.031 0.000 2.733 690 T HA 0.386 4.738 4.350 0.003 0.000 0.294 690 T C -0.334 174.371 174.700 0.009 0.000 0.956 690 T CA -0.516 61.584 62.100 0.000 0.000 0.987 690 T CB 0.402 69.269 68.868 -0.002 0.000 0.920 690 T HN 0.651 nan 8.240 nan 0.000 0.470 691 D N 2.112 122.527 120.400 0.024 0.000 2.440 691 D HA 0.130 4.772 4.640 0.003 0.000 0.269 691 D C 1.515 177.829 176.300 0.024 0.000 1.249 691 D CA -0.534 53.475 54.000 0.015 0.000 1.055 691 D CB 0.347 41.145 40.800 -0.004 0.000 1.104 691 D HN 0.330 nan 8.370 nan 0.000 0.561 692 S N -1.150 114.554 115.700 0.006 0.000 2.363 692 S HA -0.228 4.243 4.470 0.003 0.000 0.218 692 S C 1.874 176.558 174.600 0.141 0.000 1.035 692 S CA 1.495 59.725 58.200 0.051 0.000 1.043 692 S CB -0.848 62.369 63.200 0.028 0.000 0.986 692 S HN 0.519 nan 8.310 nan 0.000 0.423 693 H N -0.322 118.766 119.070 0.029 0.000 2.321 693 H HA -0.031 4.526 4.556 0.002 0.000 0.295 693 H C 1.881 177.225 175.328 0.026 0.000 1.102 693 H CA 0.782 56.847 56.048 0.030 0.000 1.266 693 H CB -0.156 29.627 29.762 0.035 0.000 1.363 693 H HN 0.638 nan 8.280 nan 0.000 0.492 694 G N -0.013 108.882 108.800 0.157 0.000 3.898 694 G HA2 -0.210 3.752 3.960 0.003 0.000 0.196 694 G HA3 -0.210 3.752 3.960 0.003 0.000 0.196 694 G C -0.240 174.694 174.900 0.057 0.000 1.322 694 G CA -0.224 44.925 45.100 0.082 0.000 0.942 694 G HN 0.275 nan 8.290 nan 0.000 0.400 695 R N 3.286 123.827 120.500 0.069 0.000 2.638 695 R HA 0.175 4.517 4.340 0.003 0.000 0.351 695 R C 0.371 176.697 176.300 0.042 0.000 0.871 695 R CA 0.953 57.078 56.100 0.042 0.000 1.091 695 R CB -1.681 28.654 30.300 0.059 0.000 0.900 695 R HN 0.782 nan 8.270 nan 0.000 0.405 696 T N -0.200 114.371 114.554 0.029 0.000 2.932 696 T HA 0.253 4.605 4.350 0.003 0.000 0.312 696 T C 0.577 175.318 174.700 0.069 0.000 1.071 696 T CA -0.746 61.379 62.100 0.042 0.000 1.128 696 T CB 1.006 69.889 68.868 0.025 0.000 0.984 696 T HN 0.374 nan 8.240 nan 0.000 0.549 697 V N 2.014 122.004 119.914 0.126 0.000 2.547 697 V HA 0.397 4.519 4.120 0.003 0.000 0.299 697 V C 0.171 176.413 176.094 0.247 0.000 1.040 697 V CA -0.957 61.443 62.300 0.167 0.000 0.913 697 V CB 1.607 33.580 31.823 0.249 0.000 0.992 697 V HN 1.018 nan 8.190 nan 0.000 0.449 698 D N 1.513 121.991 120.400 0.130 0.000 2.280 698 D HA 0.384 5.025 4.640 0.003 0.000 0.243 698 D C -0.145 176.212 176.300 0.095 0.000 1.129 698 D CA -0.056 54.020 54.000 0.126 0.000 0.848 698 D CB 0.892 41.704 40.800 0.020 0.000 1.107 698 D HN 0.353 nan 8.370 nan 0.000 0.471 699 F N 1.998 121.907 119.950 -0.068 0.000 2.678 699 F HA 0.282 4.811 4.527 0.003 0.000 0.305 699 F C 1.946 177.695 175.800 -0.085 0.000 1.090 699 F CA -0.274 57.683 58.000 -0.072 0.000 1.272 699 F CB 0.160 39.137 39.000 -0.039 0.000 1.060 699 F HN 0.337 nan 8.300 nan 0.000 0.576 700 R N -0.009 120.526 120.500 0.059 0.000 2.200 700 R HA -0.114 4.227 4.340 0.003 0.000 0.234 700 R C 0.792 177.050 176.300 -0.069 0.000 1.127 700 R CA 0.975 57.075 56.100 0.002 0.000 0.989 700 R CB -0.257 30.038 30.300 -0.009 0.000 0.869 700 R HN 0.127 nan 8.270 nan 0.000 0.459 701 N N 0.589 119.167 118.700 -0.203 0.000 2.279 701 N HA -0.003 4.739 4.740 0.003 0.000 0.226 701 N C -0.360 175.004 175.510 -0.242 0.000 1.126 701 N CA 0.270 53.097 53.050 -0.372 0.000 0.846 701 N CB 0.925 38.801 38.487 -1.018 0.000 1.050 701 N HN 0.229 nan 8.380 nan 0.000 0.502 702 T N -2.944 111.564 114.554 -0.077 0.000 2.942 702 T HA 0.603 4.955 4.350 0.003 0.000 0.289 702 T C -0.173 174.626 174.700 0.165 0.000 1.044 702 T CA -0.628 61.486 62.100 0.024 0.000 1.023 702 T CB 2.192 71.039 68.868 -0.036 0.000 1.123 702 T HN -0.268 nan 8.240 nan 0.000 0.512 703 V N 2.757 122.817 119.914 0.243 0.000 2.417 703 V HA 0.447 4.569 4.120 0.003 0.000 0.291 703 V C -0.561 175.671 176.094 0.230 0.000 1.024 703 V CA -0.985 61.470 62.300 0.257 0.000 0.861 703 V CB 1.399 33.409 31.823 0.311 0.000 0.985 703 V HN 0.784 nan 8.190 nan 0.000 0.436 704 I N 6.449 127.130 120.570 0.185 0.000 2.328 704 I HA 0.453 4.625 4.170 0.003 0.000 0.287 704 I C -0.070 176.130 176.117 0.138 0.000 1.012 704 I CA -0.220 61.179 61.300 0.165 0.000 1.195 704 I CB 1.202 39.245 38.000 0.072 0.000 1.350 704 I HN 0.417 nan 8.210 nan 0.000 0.464 705 I N 7.088 127.728 120.570 0.116 0.000 2.377 705 I HA 0.426 4.598 4.170 0.003 0.000 0.293 705 I C -0.390 175.692 176.117 -0.058 0.000 0.987 705 I CA -0.611 60.631 61.300 -0.098 0.000 1.185 705 I CB 1.695 39.499 38.000 -0.327 0.000 1.341 705 I HN 0.262 nan 8.210 nan 0.000 0.455 706 L N 5.871 127.016 121.223 -0.131 0.000 2.356 706 L HA 0.541 4.883 4.340 0.003 0.000 0.277 706 L C 0.077 176.936 176.870 -0.018 0.000 0.996 706 L CA -0.568 54.264 54.840 -0.014 0.000 0.822 706 L CB 2.116 44.179 42.059 0.006 0.000 1.256 706 L HN 0.607 nan 8.230 nan 0.000 0.413 707 T N -0.809 113.772 114.554 0.044 0.000 2.940 707 T HA 0.798 5.149 4.350 0.003 0.000 0.288 707 T C -0.311 174.462 174.700 0.122 0.000 1.033 707 T CA -0.775 61.380 62.100 0.091 0.000 1.033 707 T CB 2.209 71.114 68.868 0.062 0.000 1.079 707 T HN 0.583 nan 8.240 nan 0.000 0.496 708 S N 0.290 116.073 115.700 0.139 0.000 2.633 708 S HA 0.362 4.834 4.470 0.003 0.000 0.271 708 S C -1.038 173.639 174.600 0.129 0.000 1.112 708 S CA -0.489 57.801 58.200 0.151 0.000 0.828 708 S CB 0.700 64.039 63.200 0.232 0.000 1.086 708 S HN 1.013 nan 8.310 nan 0.000 0.461 709 N N 2.143 120.903 118.700 0.101 0.000 2.177 709 N HA 0.273 5.015 4.740 0.003 0.000 0.218 709 N C 1.364 176.911 175.510 0.062 0.000 1.182 709 N CA -0.243 52.856 53.050 0.081 0.000 0.882 709 N CB -0.207 38.318 38.487 0.062 0.000 1.052 709 N HN 0.473 nan 8.380 nan 0.000 0.519 710 L N 0.028 121.282 121.223 0.051 0.000 2.064 710 L HA -0.182 4.160 4.340 0.003 0.000 0.216 710 L C 2.093 178.969 176.870 0.010 0.000 1.077 710 L CA 1.932 56.754 54.840 -0.030 0.000 0.766 710 L CB -0.457 41.559 42.059 -0.072 0.000 0.890 710 L HN 0.558 nan 8.230 nan 0.000 0.435 711 G N -2.598 106.248 108.800 0.076 0.000 3.088 711 G HA2 -0.068 3.893 3.960 0.003 0.000 0.217 711 G HA3 -0.068 3.893 3.960 0.003 0.000 0.217 711 G C 1.477 176.435 174.900 0.095 0.000 1.159 711 G CA 0.544 45.700 45.100 0.094 0.000 0.760 711 G HN 0.300 nan 8.290 nan 0.000 0.550 712 S N 2.079 117.832 115.700 0.088 0.000 2.389 712 S HA -0.146 4.325 4.470 0.003 0.000 0.229 712 S C 0.992 175.631 174.600 0.066 0.000 1.048 712 S CA 2.148 60.397 58.200 0.082 0.000 1.117 712 S CB -0.713 62.530 63.200 0.073 0.000 1.020 712 S HN 0.335 nan 8.310 nan 0.000 0.430 713 P HA -0.132 nan 4.420 nan 0.000 0.213 713 P C 1.870 179.202 177.300 0.054 0.000 1.170 713 P CA 1.172 64.300 63.100 0.048 0.000 0.902 713 P CB -0.342 31.387 31.700 0.047 0.000 0.789 714 L N -0.343 120.928 121.223 0.082 0.000 2.042 714 L HA -0.139 4.203 4.340 0.003 0.000 0.210 714 L C 2.673 179.595 176.870 0.087 0.000 1.076 714 L CA 1.640 56.552 54.840 0.121 0.000 0.749 714 L CB -1.333 40.819 42.059 0.156 0.000 0.893 714 L HN -0.162 nan 8.230 nan 0.000 0.432 715 I N -1.250 119.366 120.570 0.077 0.000 2.208 715 I HA -0.347 3.825 4.170 0.003 0.000 0.245 715 I C 2.410 178.512 176.117 -0.024 0.000 1.097 715 I CA 1.425 62.757 61.300 0.054 0.000 1.363 715 I CB -0.379 37.678 38.000 0.094 0.000 1.051 715 I HN 0.285 nan 8.210 nan 0.000 0.413 716 L N 0.404 121.620 121.223 -0.012 0.000 1.994 716 L HA -0.246 4.095 4.340 0.003 0.000 0.208 716 L C 2.689 179.482 176.870 -0.128 0.000 1.071 716 L CA 1.666 56.481 54.840 -0.042 0.000 0.745 716 L CB -0.676 41.379 42.059 -0.007 0.000 0.892 716 L HN 0.310 nan 8.230 nan 0.000 0.431 717 E N 0.340 120.465 120.200 -0.124 0.000 2.086 717 E HA -0.251 4.101 4.350 0.003 0.000 0.200 717 E C 2.084 178.317 176.600 -0.612 0.000 1.012 717 E CA 1.487 57.761 56.400 -0.211 0.000 0.812 717 E CB -0.272 29.398 29.700 -0.050 0.000 0.743 717 E HN 0.491 nan 8.360 nan 0.000 0.453 718 G N 0.612 108.939 108.800 -0.790 0.000 2.470 718 G HA2 -0.191 3.770 3.960 0.003 0.000 0.220 718 G HA3 -0.191 3.770 3.960 0.003 0.000 0.220 718 G C 1.502 175.826 174.900 -0.960 0.000 1.121 718 G CA 0.669 44.811 45.100 -1.597 0.000 0.766 718 G HN 0.228 nan 8.290 nan 0.000 0.553 719 L N -0.926 120.016 121.223 -0.468 0.000 2.202 719 L HA 0.075 4.417 4.340 0.003 0.000 0.205 719 L C 2.998 179.739 176.870 -0.214 0.000 1.083 719 L CA 0.504 55.190 54.840 -0.256 0.000 0.790 719 L CB -0.251 41.732 42.059 -0.126 0.000 0.942 719 L HN 0.118 nan 8.230 nan 0.000 0.452 720 Q N 0.662 120.329 119.800 -0.221 0.000 1.990 720 Q HA -0.136 4.205 4.340 0.003 0.000 0.200 720 Q C 1.884 177.804 176.000 -0.133 0.000 0.980 720 Q CA 1.434 57.155 55.803 -0.137 0.000 0.832 720 Q CB -0.092 28.584 28.738 -0.103 0.000 0.897 720 Q HN 0.241 nan 8.270 nan 0.000 0.427 721 K N 0.054 120.333 120.400 -0.203 0.000 2.574 721 K HA 0.030 4.351 4.320 0.003 0.000 0.193 721 K C 0.530 177.106 176.600 -0.040 0.000 1.035 721 K CA 0.477 56.724 56.287 -0.067 0.000 0.982 721 K CB -0.331 32.206 32.500 0.063 0.000 0.795 721 K HN 0.428 nan 8.250 nan 0.000 0.491 722 G N 2.602 111.311 108.800 -0.152 0.000 2.416 722 G HA2 -0.220 3.741 3.960 0.003 0.000 0.301 722 G HA3 -0.220 3.741 3.960 0.003 0.000 0.301 722 G C -0.175 174.753 174.900 0.048 0.000 0.985 722 G CA 0.685 45.740 45.100 -0.075 0.000 0.934 722 G HN 0.514 nan 8.290 nan 0.000 0.513 723 W N -1.225 120.099 121.300 0.039 0.000 2.237 723 W HA 0.691 5.352 4.660 0.003 0.000 0.335 723 W C -1.982 174.565 176.519 0.048 0.000 1.230 723 W CA -3.655 53.712 57.345 0.035 0.000 1.253 723 W CB -0.467 29.008 29.460 0.026 0.000 1.129 723 W HN 0.082 nan 8.180 nan 0.000 0.590 724 P HA -0.242 nan 4.420 nan 0.000 0.263 724 P C 0.580 178.062 177.300 0.304 0.000 1.162 724 P CA 0.677 63.936 63.100 0.266 0.000 0.758 724 P CB 0.042 31.851 31.700 0.181 0.000 0.773 725 Y N 4.240 124.619 120.300 0.132 0.000 2.102 725 Y HA -0.318 4.234 4.550 0.003 0.000 0.280 725 Y C 2.262 178.242 175.900 0.134 0.000 1.178 725 Y CA 2.367 60.533 58.100 0.110 0.000 1.146 725 Y CB -0.523 37.971 38.460 0.057 0.000 0.968 725 Y HN 0.389 nan 8.280 nan 0.000 0.504 726 E N 0.383 120.556 120.200 -0.045 0.000 2.097 726 E HA -0.232 4.120 4.350 0.003 0.000 0.196 726 E C 2.358 178.901 176.600 -0.094 0.000 1.000 726 E CA 1.476 57.794 56.400 -0.136 0.000 0.804 726 E CB -0.393 29.304 29.700 -0.006 0.000 0.740 726 E HN 0.247 nan 8.360 nan 0.000 0.454 727 R N 0.189 120.704 120.500 0.025 0.000 2.120 727 R HA -0.062 4.280 4.340 0.003 0.000 0.234 727 R C 2.335 178.711 176.300 0.127 0.000 1.123 727 R CA 1.255 57.365 56.100 0.016 0.000 0.975 727 R CB -0.453 29.823 30.300 -0.039 0.000 0.866 727 R HN 0.370 nan 8.270 nan 0.000 0.446 728 I N -0.412 120.310 120.570 0.254 0.000 2.193 728 I HA -0.245 3.927 4.170 0.003 0.000 0.240 728 I C 2.727 178.878 176.117 0.056 0.000 1.084 728 I CA 0.988 62.456 61.300 0.280 0.000 1.365 728 I CB -0.380 37.712 38.000 0.154 0.000 1.064 728 I HN 0.122 nan 8.210 nan 0.000 0.410 729 R N 1.001 121.382 120.500 -0.199 0.000 2.096 729 R HA -0.226 4.115 4.340 0.003 0.000 0.240 729 R C 1.937 178.245 176.300 0.014 0.000 1.139 729 R CA 2.250 58.250 56.100 -0.167 0.000 0.952 729 R CB -0.179 29.873 30.300 -0.413 0.000 0.854 729 R HN 0.327 nan 8.270 nan 0.000 0.436 730 D N -0.226 120.166 120.400 -0.014 0.000 2.097 730 D HA -0.160 4.481 4.640 0.003 0.000 0.195 730 D C 1.782 178.155 176.300 0.122 0.000 0.989 730 D CA 1.163 55.192 54.000 0.050 0.000 0.827 730 D CB -0.224 40.571 40.800 -0.010 0.000 0.966 730 D HN 0.228 nan 8.370 nan 0.000 0.456 731 E N 0.323 120.579 120.200 0.094 0.000 2.077 731 E HA -0.112 4.240 4.350 0.003 0.000 0.193 731 E C 2.050 178.737 176.600 0.146 0.000 0.989 731 E CA 0.546 57.011 56.400 0.107 0.000 0.800 731 E CB -0.113 29.666 29.700 0.132 0.000 0.746 731 E HN 0.020 nan 8.360 nan 0.000 0.452 732 V N 0.355 120.370 119.914 0.168 0.000 2.427 732 V HA -0.176 3.946 4.120 0.003 0.000 0.248 732 V C 1.982 178.189 176.094 0.188 0.000 1.051 732 V CA 1.641 64.042 62.300 0.168 0.000 1.048 732 V CB -0.563 31.361 31.823 0.168 0.000 0.666 732 V HN 0.303 nan 8.190 nan 0.000 0.456 733 F N 1.366 121.362 119.950 0.077 0.000 2.095 733 F HA -0.194 4.335 4.527 0.003 0.000 0.298 733 F C 2.369 178.227 175.800 0.097 0.000 1.104 733 F CA 1.808 59.860 58.000 0.087 0.000 1.232 733 F CB -0.290 38.743 39.000 0.055 0.000 0.987 733 F HN 0.042 nan 8.300 nan 0.000 0.475 734 K N -0.167 120.329 120.400 0.160 0.000 2.034 734 K HA -0.221 4.101 4.320 0.003 0.000 0.214 734 K C 1.967 178.569 176.600 0.004 0.000 1.051 734 K CA 2.054 58.382 56.287 0.068 0.000 0.931 734 K CB -0.947 31.608 32.500 0.091 0.000 0.715 734 K HN 0.198 nan 8.250 nan 0.000 0.446 735 V N 2.176 122.116 119.914 0.044 0.000 2.252 735 V HA -0.282 3.839 4.120 0.003 0.000 0.249 735 V C 2.351 178.485 176.094 0.068 0.000 1.056 735 V CA 1.825 64.165 62.300 0.067 0.000 1.022 735 V CB -0.595 31.266 31.823 0.063 0.000 0.641 735 V HN 0.292 nan 8.190 nan 0.000 0.445 736 L N -0.436 120.791 121.223 0.006 0.000 2.043 736 L HA -0.293 4.048 4.340 0.003 0.000 0.212 736 L C 2.666 179.534 176.870 -0.003 0.000 1.075 736 L CA 1.824 56.705 54.840 0.068 0.000 0.752 736 L CB -0.727 41.320 42.059 -0.020 0.000 0.891 736 L HN 0.410 nan 8.230 nan 0.000 0.432 737 Q N -0.427 119.245 119.800 -0.212 0.000 2.515 737 Q HA -0.223 4.118 4.340 0.003 0.000 0.215 737 Q C 1.785 177.732 176.000 -0.087 0.000 0.983 737 Q CA 0.938 56.641 55.803 -0.167 0.000 0.905 737 Q CB -0.056 28.581 28.738 -0.168 0.000 0.961 737 Q HN 0.639 nan 8.270 nan 0.000 0.503 738 Q N -1.324 118.444 119.800 -0.054 0.000 2.384 738 Q HA -0.000 4.341 4.340 0.003 0.000 0.207 738 Q C 0.389 176.152 176.000 -0.394 0.000 0.904 738 Q CA 0.490 56.197 55.803 -0.159 0.000 0.933 738 Q CB 0.629 29.293 28.738 -0.124 0.000 1.077 738 Q HN 0.508 nan 8.270 nan 0.000 0.522 739 H N -1.959 116.866 119.070 -0.408 0.000 3.233 739 H HA 0.234 4.792 4.556 0.003 0.000 0.263 739 H C -0.958 173.775 175.328 -0.992 0.000 1.168 739 H CA -0.040 55.582 56.048 -0.709 0.000 1.159 739 H CB 0.720 29.933 29.762 -0.916 0.000 1.593 739 H HN -0.056 nan 8.280 nan 0.000 0.580 740 F N 1.065 120.964 119.950 -0.084 0.000 2.556 740 F HA 0.432 4.961 4.527 0.003 0.000 0.314 740 F C 0.095 175.818 175.800 -0.128 0.000 1.106 740 F CA -1.356 56.542 58.000 -0.170 0.000 0.911 740 F CB 1.403 40.441 39.000 0.064 0.000 1.190 740 F HN -0.214 nan 8.300 nan 0.000 0.448 741 R N 3.971 124.471 120.500 -0.001 0.000 2.522 741 R HA 0.101 4.442 4.340 0.003 0.000 0.284 741 R C -1.732 174.643 176.300 0.125 0.000 1.032 741 R CA -1.098 55.006 56.100 0.006 0.000 1.049 741 R CB 0.269 30.535 30.300 -0.056 0.000 0.956 741 R HN 0.352 nan 8.270 nan 0.000 0.422 742 P HA -0.214 nan 4.420 nan 0.000 0.216 742 P C 0.259 177.621 177.300 0.104 0.000 1.150 742 P CA 1.488 64.649 63.100 0.102 0.000 0.843 742 P CB 0.298 32.043 31.700 0.075 0.000 0.787 743 E N -0.570 119.683 120.200 0.087 0.000 2.147 743 E HA -0.203 4.148 4.350 0.003 0.000 0.199 743 E C 1.901 178.563 176.600 0.104 0.000 1.005 743 E CA 1.154 57.599 56.400 0.075 0.000 0.810 743 E CB -1.256 28.482 29.700 0.064 0.000 0.736 743 E HN 0.303 nan 8.360 nan 0.000 0.460 744 F N 0.911 120.855 119.950 -0.009 0.000 2.039 744 F HA -0.069 4.460 4.527 0.002 0.000 0.294 744 F C 1.843 177.627 175.800 -0.027 0.000 1.130 744 F CA 1.318 59.307 58.000 -0.018 0.000 1.189 744 F CB -0.383 38.614 39.000 -0.005 0.000 0.983 744 F HN -0.082 nan 8.300 nan 0.000 0.471 745 L N 0.428 121.609 121.223 -0.071 0.000 2.129 745 L HA -0.287 4.054 4.340 0.003 0.000 0.212 745 L C 1.948 178.769 176.870 -0.081 0.000 1.087 745 L CA 1.888 56.642 54.840 -0.142 0.000 0.757 745 L CB -0.956 41.161 42.059 0.098 0.000 0.896 745 L HN 0.347 nan 8.230 nan 0.000 0.434 746 N N -0.621 118.063 118.700 -0.026 0.000 2.354 746 N HA -0.072 4.669 4.740 0.003 0.000 0.179 746 N C 1.387 176.847 175.510 -0.084 0.000 1.021 746 N CA 0.197 53.236 53.050 -0.018 0.000 0.887 746 N CB 0.175 38.672 38.487 0.018 0.000 0.974 746 N HN 0.197 nan 8.380 nan 0.000 0.437 747 R N 0.838 121.253 120.500 -0.141 0.000 2.310 747 R HA 0.196 4.537 4.340 0.003 0.000 0.202 747 R C -0.005 176.153 176.300 -0.237 0.000 0.933 747 R CA -0.028 55.978 56.100 -0.156 0.000 1.054 747 R CB -0.352 29.874 30.300 -0.124 0.000 0.985 747 R HN 0.250 nan 8.270 nan 0.000 0.489 748 L N 1.334 122.380 121.223 -0.295 0.000 2.319 748 L HA 0.077 4.418 4.340 0.003 0.000 0.280 748 L C 0.802 177.528 176.870 -0.240 0.000 1.099 748 L CA -0.188 54.455 54.840 -0.329 0.000 0.828 748 L CB 1.103 42.944 42.059 -0.364 0.000 1.150 748 L HN -0.062 nan 8.230 nan 0.000 0.442 749 D N 1.159 121.366 120.400 -0.321 0.000 2.144 749 D HA -0.082 4.560 4.640 0.003 0.000 0.199 749 D C 0.078 176.287 176.300 -0.151 0.000 0.984 749 D CA 1.423 55.255 54.000 -0.279 0.000 0.834 749 D CB 0.302 40.823 40.800 -0.465 0.000 0.955 749 D HN 0.413 nan 8.370 nan 0.000 0.465 750 E N -0.751 119.381 120.200 -0.114 0.000 2.390 750 E HA 0.342 4.693 4.350 0.003 0.000 0.280 750 E C -0.845 175.875 176.600 0.199 0.000 0.992 750 E CA -0.468 56.010 56.400 0.131 0.000 0.790 750 E CB 2.056 31.985 29.700 0.382 0.000 1.248 750 E HN -0.055 nan 8.360 nan 0.000 0.447 751 I N 2.049 122.744 120.570 0.209 0.000 2.555 751 I HA 0.180 4.351 4.170 0.003 0.000 0.275 751 I C -0.244 176.039 176.117 0.276 0.000 1.082 751 I CA -0.655 60.791 61.300 0.242 0.000 1.167 751 I CB 1.164 39.297 38.000 0.221 0.000 1.312 751 I HN 0.069 nan 8.210 nan 0.000 0.493 752 V N 5.598 125.721 119.914 0.347 0.000 2.686 752 V HA 0.154 4.275 4.120 0.003 0.000 0.295 752 V C 0.173 176.412 176.094 0.242 0.000 1.055 752 V CA -0.386 62.051 62.300 0.229 0.000 1.050 752 V CB 2.035 33.937 31.823 0.131 0.000 0.984 752 V HN 0.398 nan 8.190 nan 0.000 0.482 753 V N 6.256 126.254 119.914 0.140 0.000 2.350 753 V HA 0.541 4.663 4.120 0.003 0.000 0.285 753 V C -0.701 175.438 176.094 0.076 0.000 1.014 753 V CA -0.414 62.006 62.300 0.200 0.000 0.831 753 V CB 0.943 32.916 31.823 0.250 0.000 1.000 753 V HN 0.605 nan 8.190 nan 0.000 0.433 754 F N 6.826 126.766 119.950 -0.016 0.000 2.389 754 F HA 0.669 5.198 4.527 0.002 0.000 0.337 754 F C 0.904 176.708 175.800 0.008 0.000 1.112 754 F CA -0.192 57.778 58.000 -0.050 0.000 1.192 754 F CB 1.041 40.002 39.000 -0.066 0.000 1.185 754 F HN 0.605 nan 8.300 nan 0.000 0.552 755 R N 1.668 122.253 120.500 0.141 0.000 2.912 755 R HA 0.708 5.049 4.340 0.003 0.000 0.262 755 R C -3.132 173.238 176.300 0.118 0.000 1.057 755 R CA -2.246 53.917 56.100 0.105 0.000 0.981 755 R CB 0.671 30.993 30.300 0.037 0.000 1.201 755 R HN 0.220 nan 8.270 nan 0.000 0.484 756 P HA 0.038 nan 4.420 nan 0.000 0.270 756 P C -0.684 176.657 177.300 0.068 0.000 1.223 756 P CA -0.074 63.116 63.100 0.151 0.000 0.785 756 P CB 0.460 32.244 31.700 0.141 0.000 0.923 757 L N 0.782 122.013 121.223 0.013 0.000 2.379 757 L HA 0.450 4.791 4.340 0.003 0.000 0.269 757 L C 1.039 177.736 176.870 -0.289 0.000 1.084 757 L CA -0.560 54.170 54.840 -0.184 0.000 0.802 757 L CB 0.955 42.829 42.059 -0.308 0.000 1.175 757 L HN 0.389 nan 8.230 nan 0.000 0.448 758 T N -2.537 111.890 114.554 -0.212 0.000 2.907 758 T HA 0.230 4.582 4.350 0.003 0.000 0.284 758 T C 0.959 175.534 174.700 -0.208 0.000 1.004 758 T CA -0.881 61.114 62.100 -0.175 0.000 1.063 758 T CB 1.448 70.252 68.868 -0.107 0.000 0.992 758 T HN 0.755 nan 8.240 nan 0.000 0.483 759 K N 1.647 121.950 120.400 -0.162 0.000 2.127 759 K HA -0.327 3.995 4.320 0.003 0.000 0.212 759 K C 1.476 178.012 176.600 -0.107 0.000 1.050 759 K CA 2.229 58.439 56.287 -0.129 0.000 0.929 759 K CB -0.531 31.928 32.500 -0.068 0.000 0.715 759 K HN 0.699 nan 8.250 nan 0.000 0.457 760 E N 1.326 121.473 120.200 -0.088 0.000 2.017 760 E HA -0.186 4.166 4.350 0.003 0.000 0.193 760 E C 2.351 178.906 176.600 -0.076 0.000 0.997 760 E CA 1.850 58.209 56.400 -0.069 0.000 0.804 760 E CB -0.200 29.464 29.700 -0.061 0.000 0.757 760 E HN 0.421 nan 8.360 nan 0.000 0.448 761 Q N 0.153 119.896 119.800 -0.094 0.000 2.045 761 Q HA -0.207 4.135 4.340 0.003 0.000 0.206 761 Q C 2.201 178.149 176.000 -0.088 0.000 0.991 761 Q CA 1.370 57.121 55.803 -0.086 0.000 0.851 761 Q CB -0.325 28.353 28.738 -0.099 0.000 0.911 761 Q HN 0.282 nan 8.270 nan 0.000 0.418 762 I N 0.978 121.462 120.570 -0.144 0.000 2.185 762 I HA -0.309 3.863 4.170 0.003 0.000 0.246 762 I C 2.273 178.356 176.117 -0.055 0.000 1.088 762 I CA 1.707 62.933 61.300 -0.124 0.000 1.347 762 I CB -1.204 36.680 38.000 -0.193 0.000 1.041 762 I HN 0.269 nan 8.210 nan 0.000 0.415 763 R N 0.441 120.909 120.500 -0.052 0.000 2.073 763 R HA -0.161 4.180 4.340 0.003 0.000 0.234 763 R C 2.267 178.556 176.300 -0.018 0.000 1.134 763 R CA 1.184 57.268 56.100 -0.027 0.000 0.952 763 R CB -0.389 29.896 30.300 -0.025 0.000 0.850 763 R HN 0.545 nan 8.270 nan 0.000 0.433 764 Q N 0.454 120.239 119.800 -0.025 0.000 2.135 764 Q HA -0.158 4.184 4.340 0.003 0.000 0.204 764 Q C 2.178 178.176 176.000 -0.002 0.000 0.981 764 Q CA 1.380 57.174 55.803 -0.015 0.000 0.856 764 Q CB -0.179 28.545 28.738 -0.024 0.000 0.902 764 Q HN 0.420 nan 8.270 nan 0.000 0.425 765 I N 0.066 120.634 120.570 -0.003 0.000 2.252 765 I HA -0.230 3.942 4.170 0.003 0.000 0.245 765 I C 2.189 178.318 176.117 0.020 0.000 1.102 765 I CA 0.725 62.034 61.300 0.014 0.000 1.385 765 I CB -0.303 37.709 38.000 0.019 0.000 1.064 765 I HN 0.044 nan 8.210 nan 0.000 0.414 766 V N 0.712 120.634 119.914 0.012 0.000 2.332 766 V HA -0.292 3.829 4.120 0.003 0.000 0.248 766 V C 2.506 178.614 176.094 0.023 0.000 1.055 766 V CA 2.072 64.382 62.300 0.017 0.000 1.038 766 V CB -0.701 31.126 31.823 0.007 0.000 0.651 766 V HN 0.383 nan 8.190 nan 0.000 0.450 767 E N 0.479 120.689 120.200 0.017 0.000 2.012 767 E HA -0.232 4.119 4.350 0.003 0.000 0.197 767 E C 2.077 178.695 176.600 0.030 0.000 1.007 767 E CA 1.958 58.369 56.400 0.019 0.000 0.816 767 E CB -0.555 29.151 29.700 0.011 0.000 0.762 767 E HN 0.571 nan 8.360 nan 0.000 0.451 768 I N 0.064 120.652 120.570 0.030 0.000 2.423 768 I HA -0.320 3.852 4.170 0.003 0.000 0.254 768 I C 2.045 178.195 176.117 0.055 0.000 1.151 768 I CA 1.513 62.837 61.300 0.039 0.000 1.421 768 I CB -0.023 37.998 38.000 0.035 0.000 1.079 768 I HN 0.192 nan 8.210 nan 0.000 0.431 769 Q N 1.021 120.853 119.800 0.053 0.000 2.123 769 Q HA -0.109 4.232 4.340 0.003 0.000 0.199 769 Q C 2.047 178.100 176.000 0.089 0.000 0.966 769 Q CA 1.683 57.528 55.803 0.069 0.000 0.845 769 Q CB -0.342 28.428 28.738 0.055 0.000 0.907 769 Q HN 0.618 nan 8.270 nan 0.000 0.439 770 L N -0.312 120.950 121.223 0.065 0.000 2.141 770 L HA -0.158 4.183 4.340 0.003 0.000 0.209 770 L C 2.271 179.177 176.870 0.060 0.000 1.094 770 L CA 1.028 55.903 54.840 0.058 0.000 0.763 770 L CB -0.442 41.640 42.059 0.039 0.000 0.908 770 L HN 0.169 nan 8.230 nan 0.000 0.437 771 S N -0.529 115.212 115.700 0.068 0.000 2.378 771 S HA -0.324 4.147 4.470 0.003 0.000 0.229 771 S C 1.863 176.521 174.600 0.097 0.000 1.052 771 S CA 2.102 60.344 58.200 0.071 0.000 1.084 771 S CB -0.641 62.605 63.200 0.075 0.000 0.950 771 S HN 0.461 nan 8.310 nan 0.000 0.440 772 Y N 1.905 122.215 120.300 0.017 0.000 2.165 772 Y HA -0.136 4.415 4.550 0.002 0.000 0.286 772 Y C 2.119 178.031 175.900 0.020 0.000 1.155 772 Y CA 1.112 59.222 58.100 0.017 0.000 1.164 772 Y CB -0.751 37.719 38.460 0.017 0.000 0.978 772 Y HN 0.181 nan 8.280 nan 0.000 0.513 773 L N 0.857 121.997 121.223 -0.139 0.000 1.989 773 L HA -0.211 4.130 4.340 0.003 0.000 0.211 773 L C 2.425 179.194 176.870 -0.168 0.000 1.071 773 L CA 1.745 56.461 54.840 -0.207 0.000 0.749 773 L CB -0.876 41.157 42.059 -0.043 0.000 0.890 773 L HN 0.116 nan 8.230 nan 0.000 0.431 774 R N -0.021 120.434 120.500 -0.075 0.000 2.094 774 R HA -0.178 4.164 4.340 0.003 0.000 0.239 774 R C 2.174 178.431 176.300 -0.073 0.000 1.137 774 R CA 1.642 57.713 56.100 -0.047 0.000 0.943 774 R CB -1.577 28.716 30.300 -0.012 0.000 0.850 774 R HN 0.529 nan 8.270 nan 0.000 0.433 775 A N 1.407 124.181 122.820 -0.078 0.000 1.859 775 A HA -0.236 4.085 4.320 0.003 0.000 0.217 775 A C 2.319 179.826 177.584 -0.128 0.000 1.198 775 A CA 2.006 54.003 52.037 -0.066 0.000 0.629 775 A CB -0.504 18.498 19.000 0.004 0.000 0.830 775 A HN 0.179 nan 8.150 nan 0.000 0.446 776 R N -0.314 120.004 120.500 -0.303 0.000 2.159 776 R HA 0.009 4.351 4.340 0.003 0.000 0.237 776 R C 1.830 178.030 176.300 -0.167 0.000 1.131 776 R CA 1.368 57.283 56.100 -0.307 0.000 0.982 776 R CB -0.707 29.220 30.300 -0.622 0.000 0.868 776 R HN 0.580 nan 8.270 nan 0.000 0.453 777 L N -0.978 120.160 121.223 -0.143 0.000 2.162 777 L HA 0.083 4.425 4.340 0.003 0.000 0.205 777 L C 2.280 179.119 176.870 -0.051 0.000 1.086 777 L CA 0.888 55.680 54.840 -0.080 0.000 0.778 777 L CB -0.489 41.534 42.059 -0.060 0.000 0.928 777 L HN 0.249 nan 8.230 nan 0.000 0.446 778 A N 0.171 122.962 122.820 -0.049 0.000 1.997 778 A HA -0.267 4.055 4.320 0.003 0.000 0.221 778 A C 2.013 179.583 177.584 -0.023 0.000 1.172 778 A CA 1.794 53.814 52.037 -0.028 0.000 0.645 778 A CB -0.506 18.480 19.000 -0.022 0.000 0.813 778 A HN 0.496 nan 8.150 nan 0.000 0.454 779 E N -0.638 119.544 120.200 -0.029 0.000 2.396 779 E HA -0.136 4.215 4.350 0.003 0.000 0.200 779 E C 0.858 177.448 176.600 -0.017 0.000 1.023 779 E CA 0.971 57.359 56.400 -0.019 0.000 0.857 779 E CB -0.066 29.622 29.700 -0.020 0.000 0.775 779 E HN 0.566 nan 8.360 nan 0.000 0.525 780 K N -0.166 120.221 120.400 -0.021 0.000 2.564 780 K HA 0.237 4.559 4.320 0.003 0.000 0.205 780 K C -0.218 176.374 176.600 -0.013 0.000 1.053 780 K CA -0.178 56.098 56.287 -0.017 0.000 1.072 780 K CB 0.639 33.127 32.500 -0.021 0.000 0.822 780 K HN -0.050 nan 8.250 nan 0.000 0.497 781 R N 0.142 120.635 120.500 -0.012 0.000 4.023 781 R HA -0.195 4.146 4.340 0.003 0.000 0.368 781 R C -0.180 176.116 176.300 -0.007 0.000 1.187 781 R CA 0.888 56.983 56.100 -0.008 0.000 1.089 781 R CB -1.908 28.388 30.300 -0.006 0.000 1.574 781 R HN 0.264 nan 8.270 nan 0.000 0.564 782 I N 1.524 122.088 120.570 -0.010 0.000 2.396 782 I HA 0.058 4.230 4.170 0.003 0.000 0.289 782 I C 0.699 176.815 176.117 -0.001 0.000 1.056 782 I CA 0.167 61.464 61.300 -0.005 0.000 1.365 782 I CB 1.376 39.372 38.000 -0.007 0.000 1.407 782 I HN 0.007 nan 8.210 nan 0.000 0.509 783 S N 6.684 122.388 115.700 0.007 0.000 2.646 783 S HA 0.579 5.050 4.470 0.003 0.000 0.276 783 S C -0.439 174.174 174.600 0.021 0.000 1.222 783 S CA -0.544 57.661 58.200 0.009 0.000 1.014 783 S CB 1.792 64.998 63.200 0.009 0.000 0.991 783 S HN 0.411 nan 8.310 nan 0.000 0.533 784 L N 2.498 123.734 121.223 0.020 0.000 2.492 784 L HA 0.412 4.753 4.340 0.003 0.000 0.258 784 L C -0.641 176.242 176.870 0.021 0.000 1.028 784 L CA -0.014 54.846 54.840 0.033 0.000 0.900 784 L CB 1.012 43.093 42.059 0.037 0.000 1.191 784 L HN 0.758 nan 8.230 nan 0.000 0.459 785 E N 3.478 123.688 120.200 0.016 0.000 2.146 785 E HA 0.541 4.893 4.350 0.003 0.000 0.282 785 E C -1.460 175.135 176.600 -0.009 0.000 0.989 785 E CA -0.637 55.765 56.400 0.004 0.000 0.799 785 E CB 1.013 30.714 29.700 0.002 0.000 1.088 785 E HN 0.492 nan 8.360 nan 0.000 0.397 786 L N 3.223 124.440 121.223 -0.011 0.000 2.334 786 L HA 0.360 4.701 4.340 0.003 0.000 0.273 786 L C 0.207 177.066 176.870 -0.020 0.000 1.013 786 L CA -0.461 54.364 54.840 -0.025 0.000 0.816 786 L CB 2.039 44.089 42.059 -0.016 0.000 1.278 786 L HN 0.542 nan 8.230 nan 0.000 0.431 787 T N 0.902 115.439 114.554 -0.029 0.000 2.898 787 T HA 0.078 4.430 4.350 0.003 0.000 0.301 787 T C 1.155 175.851 174.700 -0.007 0.000 1.049 787 T CA -0.487 61.600 62.100 -0.021 0.000 1.095 787 T CB 0.772 69.620 68.868 -0.033 0.000 0.976 787 T HN 0.486 nan 8.240 nan 0.000 0.539 788 E N 1.415 121.613 120.200 -0.004 0.000 2.118 788 E HA -0.168 4.184 4.350 0.003 0.000 0.195 788 E C 2.412 179.022 176.600 0.016 0.000 0.992 788 E CA 1.287 57.690 56.400 0.004 0.000 0.804 788 E CB -0.510 29.190 29.700 0.000 0.000 0.741 788 E HN 0.741 nan 8.360 nan 0.000 0.458 789 A N 1.680 124.505 122.820 0.008 0.000 1.865 789 A HA -0.165 4.156 4.320 0.003 0.000 0.217 789 A C 2.472 180.087 177.584 0.051 0.000 1.191 789 A CA 2.427 54.474 52.037 0.016 0.000 0.623 789 A CB -0.759 18.232 19.000 -0.015 0.000 0.826 789 A HN 0.292 nan 8.150 nan 0.000 0.444 790 A N -0.135 122.703 122.820 0.031 0.000 1.851 790 A HA -0.215 4.107 4.320 0.003 0.000 0.216 790 A C 2.116 179.774 177.584 0.123 0.000 1.195 790 A CA 2.004 54.084 52.037 0.071 0.000 0.622 790 A CB -0.593 18.407 19.000 0.001 0.000 0.831 790 A HN 0.565 nan 8.150 nan 0.000 0.444 791 K N -0.375 120.062 120.400 0.062 0.000 2.020 791 K HA -0.198 4.124 4.320 0.003 0.000 0.212 791 K C 1.731 178.366 176.600 0.058 0.000 1.050 791 K CA 1.614 57.929 56.287 0.048 0.000 0.929 791 K CB -0.448 32.066 32.500 0.023 0.000 0.714 791 K HN 0.455 nan 8.250 nan 0.000 0.443 792 D N 0.450 120.890 120.400 0.066 0.000 2.133 792 D HA -0.194 4.448 4.640 0.003 0.000 0.195 792 D C 1.759 178.128 176.300 0.115 0.000 0.997 792 D CA 1.056 55.097 54.000 0.069 0.000 0.840 792 D CB -0.289 40.550 40.800 0.064 0.000 0.947 792 D HN 0.082 nan 8.370 nan 0.000 0.452 793 F N 1.818 121.766 119.950 -0.004 0.000 2.069 793 F HA -0.191 4.337 4.527 0.003 0.000 0.298 793 F C 2.263 178.072 175.800 0.015 0.000 1.113 793 F CA 1.227 59.228 58.000 0.003 0.000 1.214 793 F CB -0.720 38.275 39.000 -0.008 0.000 0.978 793 F HN -0.112 nan 8.300 nan 0.000 0.474 794 L N 0.042 121.167 121.223 -0.163 0.000 2.012 794 L HA -0.256 4.086 4.340 0.003 0.000 0.210 794 L C 2.846 179.617 176.870 -0.165 0.000 1.073 794 L CA 1.414 56.097 54.840 -0.261 0.000 0.748 794 L CB -1.470 40.543 42.059 -0.076 0.000 0.891 794 L HN 0.303 nan 8.230 nan 0.000 0.431 795 A N -0.384 122.397 122.820 -0.064 0.000 1.892 795 A HA -0.239 4.082 4.320 0.003 0.000 0.218 795 A C 2.193 179.765 177.584 -0.020 0.000 1.188 795 A CA 1.746 53.767 52.037 -0.028 0.000 0.631 795 A CB -0.493 18.499 19.000 -0.014 0.000 0.822 795 A HN 0.402 nan 8.150 nan 0.000 0.447 796 E N -0.530 119.650 120.200 -0.034 0.000 2.007 796 E HA -0.214 4.138 4.350 0.003 0.000 0.203 796 E C 2.254 178.823 176.600 -0.051 0.000 1.020 796 E CA 1.168 57.562 56.400 -0.010 0.000 0.845 796 E CB -0.408 29.310 29.700 0.031 0.000 0.779 796 E HN 0.342 nan 8.360 nan 0.000 0.466 797 R N -0.028 120.349 120.500 -0.204 0.000 2.139 797 R HA -0.120 4.222 4.340 0.003 0.000 0.243 797 R C 2.309 178.547 176.300 -0.103 0.000 1.145 797 R CA 1.178 57.157 56.100 -0.202 0.000 0.976 797 R CB -1.117 28.918 30.300 -0.441 0.000 0.866 797 R HN 0.334 nan 8.270 nan 0.000 0.449 798 G N -0.284 108.463 108.800 -0.088 0.000 2.433 798 G HA2 -0.258 3.704 3.960 0.003 0.000 0.216 798 G HA3 -0.258 3.704 3.960 0.003 0.000 0.216 798 G C 0.511 175.467 174.900 0.092 0.000 1.186 798 G CA 0.299 45.398 45.100 -0.002 0.000 0.779 798 G HN 0.287 nan 8.290 nan 0.000 0.543 799 Y N 1.265 121.551 120.300 -0.023 0.000 2.300 799 Y HA 0.485 5.036 4.550 0.002 0.000 0.328 799 Y C -0.467 175.441 175.900 0.013 0.000 1.270 799 Y CA -0.998 57.105 58.100 0.006 0.000 1.352 799 Y CB 1.179 39.640 38.460 0.002 0.000 1.286 799 Y HN 0.144 nan 8.280 nan 0.000 0.536 800 D N 4.170 124.216 120.400 -0.590 0.000 2.927 800 D HA 0.229 4.870 4.640 0.003 0.000 0.219 800 D C -2.493 173.418 176.300 -0.648 0.000 1.248 800 D CA -1.819 51.936 54.000 -0.408 0.000 0.861 800 D CB 2.636 43.320 40.800 -0.193 0.000 1.677 800 D HN 0.224 nan 8.370 nan 0.000 0.511 801 P HA -0.159 nan 4.420 nan 0.000 0.214 801 P C 1.405 178.587 177.300 -0.196 0.000 1.163 801 P CA 0.864 63.833 63.100 -0.218 0.000 0.889 801 P CB 0.449 32.084 31.700 -0.109 0.000 0.790 802 V N -2.226 117.564 119.914 -0.206 0.000 2.725 802 V HA -0.002 4.119 4.120 0.003 0.000 0.247 802 V C 1.743 177.874 176.094 0.060 0.000 1.058 802 V CA 1.172 63.395 62.300 -0.127 0.000 1.080 802 V CB -0.761 30.920 31.823 -0.236 0.000 0.713 802 V HN 0.010 nan 8.190 nan 0.000 0.465 803 F N 0.132 119.981 119.950 -0.168 0.000 2.698 803 F HA 0.406 4.935 4.527 0.003 0.000 0.295 803 F C 1.702 177.394 175.800 -0.180 0.000 1.124 803 F CA 0.232 58.146 58.000 -0.142 0.000 1.426 803 F CB 0.378 39.309 39.000 -0.116 0.000 1.120 803 F HN 0.425 nan 8.300 nan 0.000 0.583 804 G N 1.264 109.956 108.800 -0.180 0.000 2.512 804 G HA2 -0.309 3.653 3.960 0.003 0.000 0.254 804 G HA3 -0.309 3.653 3.960 0.003 0.000 0.254 804 G C 0.467 175.282 174.900 -0.142 0.000 1.199 804 G CA -0.161 44.767 45.100 -0.286 0.000 0.941 804 G HN 0.394 nan 8.290 nan 0.000 0.569 805 A N -0.004 122.928 122.820 0.186 0.000 2.411 805 A HA 0.486 4.808 4.320 0.003 0.000 0.251 805 A C 2.004 179.645 177.584 0.094 0.000 1.317 805 A CA 1.380 53.553 52.037 0.228 0.000 0.904 805 A CB -0.290 18.859 19.000 0.250 0.000 0.993 805 A HN 0.754 nan 8.150 nan 0.000 0.504 806 R N 0.610 121.136 120.500 0.042 0.000 2.066 806 R HA -0.073 4.269 4.340 0.003 0.000 0.232 806 R C -0.961 175.340 176.300 0.001 0.000 1.131 806 R CA 1.776 57.872 56.100 -0.006 0.000 0.955 806 R CB -0.902 29.348 30.300 -0.083 0.000 0.851 806 R HN 0.360 nan 8.270 nan 0.000 0.432 807 P HA -0.158 nan 4.420 nan 0.000 0.216 807 P C 1.208 178.519 177.300 0.019 0.000 1.150 807 P CA 0.704 63.821 63.100 0.029 0.000 0.837 807 P CB -0.093 31.640 31.700 0.055 0.000 0.786 808 L N 0.212 121.453 121.223 0.030 0.000 2.054 808 L HA -0.261 4.081 4.340 0.003 0.000 0.220 808 L C 2.425 179.304 176.870 0.015 0.000 1.081 808 L CA 2.031 56.883 54.840 0.020 0.000 0.780 808 L CB -0.985 41.100 42.059 0.044 0.000 0.893 808 L HN -0.139 nan 8.230 nan 0.000 0.438 809 R N -1.145 119.368 120.500 0.022 0.000 2.070 809 R HA -0.159 4.183 4.340 0.003 0.000 0.233 809 R C 2.370 178.685 176.300 0.024 0.000 1.137 809 R CA 1.575 57.691 56.100 0.026 0.000 0.945 809 R CB -0.151 30.161 30.300 0.020 0.000 0.845 809 R HN 0.366 nan 8.270 nan 0.000 0.430 810 R N 0.162 120.671 120.500 0.016 0.000 2.083 810 R HA -0.118 4.224 4.340 0.003 0.000 0.237 810 R C 2.347 178.660 176.300 0.020 0.000 1.137 810 R CA 1.362 57.473 56.100 0.018 0.000 0.951 810 R CB -1.135 29.173 30.300 0.013 0.000 0.851 810 R HN 0.186 nan 8.270 nan 0.000 0.434 811 V N 2.058 121.975 119.914 0.006 0.000 2.220 811 V HA -0.248 3.874 4.120 0.003 0.000 0.246 811 V C 2.551 178.648 176.094 0.005 0.000 1.049 811 V CA 1.942 64.234 62.300 -0.014 0.000 1.003 811 V CB -0.541 31.240 31.823 -0.070 0.000 0.634 811 V HN 0.214 nan 8.190 nan 0.000 0.444 812 I N -0.244 120.330 120.570 0.007 0.000 2.315 812 I HA -0.374 3.797 4.170 0.003 0.000 0.251 812 I C 2.639 178.795 176.117 0.064 0.000 1.125 812 I CA 2.091 63.413 61.300 0.036 0.000 1.392 812 I CB -0.416 37.608 38.000 0.041 0.000 1.065 812 I HN 0.488 nan 8.210 nan 0.000 0.424 813 Q N 0.870 120.704 119.800 0.057 0.000 2.016 813 Q HA -0.229 4.112 4.340 0.003 0.000 0.200 813 Q C 2.529 178.571 176.000 0.069 0.000 0.978 813 Q CA 1.381 57.221 55.803 0.063 0.000 0.833 813 Q CB -0.057 28.711 28.738 0.051 0.000 0.895 813 Q HN 0.267 nan 8.270 nan 0.000 0.427 814 R N 0.200 120.738 120.500 0.065 0.000 2.057 814 R HA -0.106 4.236 4.340 0.003 0.000 0.229 814 R C 1.820 178.186 176.300 0.109 0.000 1.136 814 R CA 1.555 57.700 56.100 0.075 0.000 0.952 814 R CB -0.249 30.089 30.300 0.063 0.000 0.848 814 R HN 0.310 nan 8.270 nan 0.000 0.430 815 E N 0.634 120.907 120.200 0.123 0.000 2.153 815 E HA -0.163 4.189 4.350 0.003 0.000 0.194 815 E C 1.813 178.547 176.600 0.223 0.000 0.988 815 E CA 0.990 57.502 56.400 0.188 0.000 0.811 815 E CB -0.011 29.820 29.700 0.218 0.000 0.746 815 E HN 0.255 nan 8.360 nan 0.000 0.466 816 L N 0.112 121.455 121.223 0.199 0.000 2.614 816 L HA 0.129 4.471 4.340 0.003 0.000 0.185 816 L C 1.844 178.871 176.870 0.262 0.000 1.098 816 L CA 0.964 55.969 54.840 0.276 0.000 0.852 816 L CB -0.185 41.984 42.059 0.183 0.000 1.213 816 L HN -0.170 nan 8.230 nan 0.000 0.491 817 E N -0.408 119.881 120.200 0.148 0.000 2.051 817 E HA -0.183 4.169 4.350 0.003 0.000 0.192 817 E C 1.778 178.408 176.600 0.049 0.000 0.991 817 E CA 1.903 58.356 56.400 0.089 0.000 0.799 817 E CB -0.268 29.473 29.700 0.068 0.000 0.748 817 E HN 0.509 nan 8.360 nan 0.000 0.449 818 T N 1.428 116.017 114.554 0.058 0.000 2.652 818 T HA -0.124 4.227 4.350 0.003 0.000 0.267 818 T C -0.917 173.775 174.700 -0.013 0.000 1.039 818 T CA 1.629 63.745 62.100 0.027 0.000 1.153 818 T CB -1.117 67.776 68.868 0.043 0.000 0.863 818 T HN 0.101 nan 8.240 nan 0.000 0.428 819 P HA -0.026 nan 4.420 nan 0.000 0.213 819 P C 1.686 178.751 177.300 -0.392 0.000 1.170 819 P CA 0.535 63.564 63.100 -0.119 0.000 0.898 819 P CB -0.226 31.528 31.700 0.089 0.000 0.787 820 L N -0.483 120.471 121.223 -0.448 0.000 2.129 820 L HA -0.207 4.135 4.340 0.003 0.000 0.212 820 L C 2.131 178.852 176.870 -0.248 0.000 1.087 820 L CA 2.091 56.645 54.840 -0.477 0.000 0.757 820 L CB -1.466 40.523 42.059 -0.116 0.000 0.896 820 L HN -0.113 nan 8.230 nan 0.000 0.434 821 A N -1.078 121.655 122.820 -0.144 0.000 1.858 821 A HA -0.277 4.044 4.320 0.003 0.000 0.216 821 A C 2.255 179.778 177.584 -0.102 0.000 1.190 821 A CA 1.653 53.635 52.037 -0.091 0.000 0.617 821 A CB -0.793 18.178 19.000 -0.049 0.000 0.827 821 A HN 0.556 nan 8.150 nan 0.000 0.443 822 Q N 0.086 119.819 119.800 -0.112 0.000 2.077 822 Q HA -0.210 4.132 4.340 0.003 0.000 0.206 822 Q C 1.900 177.831 176.000 -0.115 0.000 0.989 822 Q CA 2.219 57.964 55.803 -0.097 0.000 0.853 822 Q CB -0.203 28.481 28.738 -0.090 0.000 0.907 822 Q HN 0.514 nan 8.270 nan 0.000 0.418 823 K N 0.128 120.419 120.400 -0.181 0.000 2.063 823 K HA -0.116 4.206 4.320 0.003 0.000 0.208 823 K C 2.207 178.739 176.600 -0.113 0.000 1.048 823 K CA 1.495 57.679 56.287 -0.170 0.000 0.928 823 K CB -0.534 31.799 32.500 -0.278 0.000 0.713 823 K HN 0.386 nan 8.250 nan 0.000 0.442 824 I N 1.067 121.570 120.570 -0.111 0.000 2.179 824 I HA -0.264 3.908 4.170 0.003 0.000 0.242 824 I C 2.348 178.433 176.117 -0.053 0.000 1.088 824 I CA 1.052 62.309 61.300 -0.072 0.000 1.357 824 I CB -0.287 37.674 38.000 -0.065 0.000 1.051 824 I HN 0.037 nan 8.210 nan 0.000 0.409 825 L N 0.492 121.683 121.223 -0.053 0.000 2.056 825 L HA -0.153 4.189 4.340 0.003 0.000 0.207 825 L C 2.798 179.647 176.870 -0.036 0.000 1.078 825 L CA 1.281 56.098 54.840 -0.038 0.000 0.749 825 L CB -0.806 41.232 42.059 -0.035 0.000 0.901 825 L HN 0.219 nan 8.230 nan 0.000 0.433 826 A N -0.413 122.381 122.820 -0.043 0.000 2.070 826 A HA 0.050 4.372 4.320 0.003 0.000 0.220 826 A C 1.948 179.514 177.584 -0.032 0.000 1.159 826 A CA 1.404 53.419 52.037 -0.036 0.000 0.656 826 A CB -0.573 18.401 19.000 -0.043 0.000 0.800 826 A HN 0.613 nan 8.150 nan 0.000 0.453 827 G N -1.354 107.425 108.800 -0.035 0.000 2.194 827 G HA2 -0.283 3.678 3.960 0.003 0.000 0.236 827 G HA3 -0.283 3.678 3.960 0.003 0.000 0.236 827 G C 0.693 175.576 174.900 -0.028 0.000 0.987 827 G CA 0.668 45.752 45.100 -0.028 0.000 0.635 827 G HN 0.533 nan 8.290 nan 0.000 0.520 828 E N -0.427 119.751 120.200 -0.036 0.000 2.118 828 E HA 0.031 4.382 4.350 0.003 0.000 0.195 828 E C 0.790 177.373 176.600 -0.028 0.000 0.992 828 E CA 1.286 57.668 56.400 -0.031 0.000 0.804 828 E CB 0.087 29.761 29.700 -0.042 0.000 0.741 828 E HN 0.394 nan 8.360 nan 0.000 0.458 829 V N 2.618 122.507 119.914 -0.041 0.000 2.311 829 V HA 0.117 4.239 4.120 0.003 0.000 0.275 829 V C 0.241 176.320 176.094 -0.025 0.000 1.022 829 V CA -0.454 61.828 62.300 -0.031 0.000 0.830 829 V CB 1.145 32.940 31.823 -0.047 0.000 1.012 829 V HN 0.051 nan 8.190 nan 0.000 0.452 830 K N 2.321 122.712 120.400 -0.015 0.000 2.632 830 K HA 0.465 4.787 4.320 0.003 0.000 0.267 830 K C 0.016 176.609 176.600 -0.010 0.000 1.028 830 K CA -0.903 55.376 56.287 -0.013 0.000 1.045 830 K CB 0.925 33.420 32.500 -0.009 0.000 1.400 830 K HN 0.609 nan 8.250 nan 0.000 0.522 831 E N -0.258 119.937 120.200 -0.009 0.000 2.344 831 E HA 0.242 4.593 4.350 0.003 0.000 0.270 831 E C 0.657 177.254 176.600 -0.005 0.000 1.021 831 E CA 1.143 57.538 56.400 -0.008 0.000 0.887 831 E CB 0.153 29.848 29.700 -0.007 0.000 0.997 831 E HN 0.672 nan 8.360 nan 0.000 0.429 832 G N 3.796 112.594 108.800 -0.004 0.000 2.284 832 G HA2 -0.331 3.630 3.960 0.003 0.000 0.261 832 G HA3 -0.331 3.630 3.960 0.003 0.000 0.261 832 G C -0.003 174.898 174.900 0.002 0.000 0.997 832 G CA 0.295 45.394 45.100 -0.002 0.000 0.621 832 G HN 0.652 nan 8.290 nan 0.000 0.534 833 D N 0.249 120.651 120.400 0.003 0.000 2.443 833 D HA 0.391 5.033 4.640 0.003 0.000 0.234 833 D C 1.087 177.395 176.300 0.014 0.000 1.172 833 D CA 0.464 54.469 54.000 0.009 0.000 0.878 833 D CB 0.258 41.065 40.800 0.010 0.000 1.204 833 D HN 0.416 nan 8.370 nan 0.000 0.453 834 R N 1.086 121.597 120.500 0.018 0.000 2.423 834 R HA 0.281 4.622 4.340 0.003 0.000 0.293 834 R C -0.939 175.383 176.300 0.036 0.000 1.196 834 R CA -0.694 55.419 56.100 0.022 0.000 1.262 834 R CB 0.696 31.005 30.300 0.015 0.000 1.116 834 R HN 0.183 nan 8.270 nan 0.000 0.566 835 V N 2.942 122.888 119.914 0.054 0.000 2.529 835 V HA -0.047 4.075 4.120 0.003 0.000 0.292 835 V C 0.445 176.584 176.094 0.076 0.000 1.028 835 V CA 0.219 62.575 62.300 0.094 0.000 1.074 835 V CB 0.844 32.757 31.823 0.150 0.000 0.958 835 V HN 0.556 nan 8.190 nan 0.000 0.481 836 Q N 3.929 123.767 119.800 0.064 0.000 2.325 836 Q HA 0.567 4.909 4.340 0.003 0.000 0.262 836 Q C -1.014 174.964 176.000 -0.038 0.000 0.968 836 Q CA -0.161 55.650 55.803 0.013 0.000 0.877 836 Q CB 1.819 30.562 28.738 0.007 0.000 1.253 836 Q HN 0.641 nan 8.270 nan 0.000 0.448 837 V N 3.689 123.541 119.914 -0.102 0.000 2.448 837 V HA 0.548 4.669 4.120 0.003 0.000 0.295 837 V C -0.748 175.233 176.094 -0.188 0.000 1.025 837 V CA -0.701 61.444 62.300 -0.259 0.000 0.859 837 V CB 1.842 33.463 31.823 -0.337 0.000 0.988 837 V HN 0.813 nan 8.190 nan 0.000 0.431 838 D N 1.928 122.201 120.400 -0.211 0.000 2.552 838 D HA 0.604 5.245 4.640 0.003 0.000 0.239 838 D C -0.392 175.808 176.300 -0.167 0.000 1.139 838 D CA -0.368 53.546 54.000 -0.142 0.000 0.914 838 D CB 2.495 43.236 40.800 -0.098 0.000 1.461 838 D HN 0.528 nan 8.370 nan 0.000 0.462 839 V N -0.416 119.412 119.914 -0.143 0.000 3.096 839 V HA 0.868 4.989 4.120 0.003 0.000 0.306 839 V C 0.671 176.657 176.094 -0.180 0.000 1.088 839 V CA 0.332 62.511 62.300 -0.202 0.000 1.129 839 V CB 0.697 32.398 31.823 -0.204 0.000 1.014 839 V HN 0.593 nan 8.190 nan 0.000 0.486 840 G N 1.558 110.226 108.800 -0.220 0.000 3.135 840 G HA2 0.627 4.589 3.960 0.003 0.000 0.278 840 G HA3 0.627 4.589 3.960 0.003 0.000 0.278 840 G C -2.122 172.681 174.900 -0.161 0.000 1.302 840 G CA -0.391 44.618 45.100 -0.152 0.000 0.880 840 G HN 0.535 nan 8.290 nan 0.000 0.574 841 P HA 0.128 nan 4.420 nan 0.000 0.215 841 P C 0.791 178.024 177.300 -0.111 0.000 1.153 841 P CA 1.989 65.034 63.100 -0.091 0.000 0.853 841 P CB 0.309 31.977 31.700 -0.054 0.000 0.788 842 A N -1.773 120.977 122.820 -0.118 0.000 2.585 842 A HA 0.637 4.958 4.320 0.003 0.000 0.281 842 A C 0.450 177.953 177.584 -0.135 0.000 0.945 842 A CA 0.310 52.284 52.037 -0.105 0.000 1.031 842 A CB 0.144 19.128 19.000 -0.027 0.000 1.221 842 A HN 0.317 nan 8.150 nan 0.000 0.496 843 G N -0.724 107.900 108.800 -0.293 0.000 2.360 843 G HA2 0.397 4.358 3.960 0.003 0.000 0.276 843 G HA3 0.397 4.358 3.960 0.003 0.000 0.276 843 G C -1.452 173.277 174.900 -0.285 0.000 1.256 843 G CA -0.746 44.194 45.100 -0.265 0.000 0.890 843 G HN 0.384 nan 8.290 nan 0.000 0.486 844 L N 0.059 121.220 121.223 -0.103 0.000 2.360 844 L HA 0.769 5.111 4.340 0.003 0.000 0.271 844 L C -0.122 176.645 176.870 -0.172 0.000 1.057 844 L CA -1.090 53.647 54.840 -0.172 0.000 0.803 844 L CB 1.684 43.638 42.059 -0.175 0.000 1.207 844 L HN 0.372 nan 8.230 nan 0.000 0.445 845 V N 0.664 120.403 119.914 -0.292 0.000 2.789 845 V HA 0.506 4.627 4.120 0.003 0.000 0.311 845 V C -0.748 175.147 176.094 -0.330 0.000 1.073 845 V CA -0.668 61.542 62.300 -0.149 0.000 0.921 845 V CB 1.915 33.697 31.823 -0.067 0.000 1.009 845 V HN 0.366 nan 8.190 nan 0.000 0.426 846 F N 1.346 121.295 119.950 -0.001 0.000 2.523 846 F HA 0.913 5.442 4.527 0.003 0.000 0.329 846 F C 0.404 176.203 175.800 -0.002 0.000 1.061 846 F CA -0.773 57.227 58.000 0.001 0.000 0.967 846 F CB 2.068 41.070 39.000 0.003 0.000 1.218 846 F HN 0.676 nan 8.300 nan 0.000 0.480 847 A N 1.074 123.998 122.820 0.174 0.000 2.491 847 A HA 0.669 4.990 4.320 0.003 0.000 0.293 847 A C -1.827 175.805 177.584 0.080 0.000 1.047 847 A CA -0.664 51.431 52.037 0.096 0.000 0.735 847 A CB 0.849 19.877 19.000 0.046 0.000 1.281 847 A HN 0.484 nan 8.150 nan 0.000 0.398 848 V N 3.663 123.615 119.914 0.063 0.000 2.407 848 V HA 0.385 4.507 4.120 0.003 0.000 0.278 848 V C -1.764 174.347 176.094 0.029 0.000 1.037 848 V CA -1.102 61.225 62.300 0.044 0.000 0.900 848 V CB 0.788 32.630 31.823 0.033 0.000 0.983 848 V HN 0.862 nan 8.190 nan 0.000 0.459 849 P HA 0.348 nan 4.420 nan 0.000 0.271 849 P C -0.085 177.222 177.300 0.012 0.000 1.244 849 P CA -0.068 63.041 63.100 0.015 0.000 0.793 849 P CB 0.482 32.189 31.700 0.012 0.000 0.984 850 A N 0.000 122.825 122.820 0.009 0.000 2.254 850 A HA 0.000 4.322 4.320 0.003 0.000 0.244 850 A CA 0.000 52.041 52.037 0.007 0.000 0.836 850 A CB 0.000 19.003 19.000 0.005 0.000 0.831 850 A HN 0.000 nan 8.150 nan 0.000 0.486